data_XXXX
_audit_creation_method	'Created with Diamond v2.0'
_audit_creation_date	06-11-14
_audit_update_record	06-11-14
_chemical_formula_sum	'F8 O48 Nb16 Ca16'
_chemical_formula_weight	3047.709
_cell_length_a	10.444(2)
_cell_length_b	10.444(2)
_cell_length_c	10.444(2)
_cell_angle_alpha	90.000
_cell_angle_beta	90.000
_cell_angle_gamma	90.000
_cell_volume	1139.2(4)
_symmetry_int_tables_number	227
_symmetry_space_group_name_H-M	'F d -3 m'
_symmetry_space_group_name_Hall	'F_4d_2_3_-1d'

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
F	?	1.200
O	?	1.200
Nb	?	1.200
Ca	?	1.200


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
F F  0.5000  0.5000  0.5000 ? 8 b ? d ? ?
O O  0.1821  0.0000  0.0000 ? 48 f ? d ? ?
Nb Nb  0.1250  0.1250  0.1250 ? 16 c ? d ? ?
Ca Ca  0.6250  0.6250  0.6250 ? 16 d ? d ? ?

