data_LuB2C(ort)
_audit_creation_method 'Created with CONVERT.DLL (www.crystalimpact.com)'
_audit_creation_date	2019-01-11
_audit_update_record	2019-01-11
_chemical_formula_sum	'Lu4 C4 B8'
_chemical_formula_weight	834.400
_cell_length_a	 6.7421
_cell_length_b	 6.7339
_cell_length_c	 3.5892
_cell_angle_alpha	90.000
_cell_angle_beta	90.000
_cell_angle_gamma	90.000
_cell_volume	163.0
_symmetry_int_tables_number	55
_symmetry_space_group_name_H-M	'P b a m'
_symmetry_space_group_name_Hall	'-P_2_2ab'

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,z
3 1/2+x,1/2-y,-z
4 1/2-x,1/2+y,-z
5 -x,-y,-z
6 x,y,-z
7 1/2-x,1/2+y,z
8 1/2+x,1/2-y,z

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Lu	?	1.200
C	?	1.200
B	?	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
Lu1 Lu  0.3088  0.3088  0.5000  1.000 4 h ? d ? ?
C1 C  0.0370  0.3320  0.0000  1.000 4 g ? d ? ?
B1 B  0.0940  0.0950  0.0000  1.000 4 g ? d ? ?
B2 B  0.3330  0.0370  0.0000  1.000 4 g ? d ? ?

