data_[Cu6Bi2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0003]
_cell_length_b [6.0613]
_cell_length_c [18.2120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu3BiAs3]
_chemical_formula_sum '[Cu6 Bi2 As6]'
_cell_volume [883.1377]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cu  Cu0  4  0.0415  0.2067  0.4685  1
  Cu  Cu1  2  0.4281  0.0000  0.5581  1
  Bi  Bi2  2  0.3204  0.0000  0.4010  1
  As  As3  4  0.2116  0.2911  0.5774  1
  As  As4  2  0.2743  0.5000  0.4491  1
]