data_Nb4V4O20_cfg-5_seed-5_P212121
_audit_creation_method 'Created with Endeavour Version 1.7f'
_audit_creation_date	2018-04-10
_audit_update_record	2018-04-10
_chemical_formula_sum	'Nb4 V4 O20'
_chemical_formula_weight	895.380
_cell_length_a	 5.5230
_cell_length_b	11.8690
_cell_length_c	 6.9290
_cell_angle_alpha	90.000
_cell_angle_beta	90.000
_cell_angle_gamma	90.000
_cell_volume	454.2
_symmetry_int_tables_number	19
_symmetry_space_group_name_H-M	'P 21 21 21'
_symmetry_space_group_name_Hall	'P_2ac_2ab'

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-z

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Nb+0	5.000	0.320
V+0	5.000	0.360
O+0	-2.000	1.210


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
Nb1 Nb+0  0.0217  0.8072  0.1577  1.000 4 a ? d ? ?
V1 V+0  0.4910  0.4059  0.0267  1.000 4 a ? d ? ?
O1 O+0  0.2504  0.6982  0.0242  1.000 4 a ? d ? ?
O1 O+0  0.0069  0.9684  0.0414  1.000 4 a ? d ? ?
O1 O+0  0.0145  0.6615  0.3240  1.000 4 a ? d ? ?
O1 O+0  0.2734  0.3713  0.1356  1.000 4 a ? d ? ?
O1 O+0  0.2298  0.1117  0.8468  1.000 4 a ? d ? ?

