data_[Co6Bi2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2488]
_cell_length_b [3.7721]
_cell_length_c [19.6570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Co3BiAs3]
_chemical_formula_sum '[Co6 Bi2 As6]'
_cell_volume [759.9280]
_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
[
  Co  Co0  2  0.0069  0.5000  0.4557  1
  Co  Co1  2  0.0789  0.5000  0.5710  1
  Co  Co2  2  0.1542  0.0000  0.5006  1
  Bi  Bi3  2  0.3697  0.5000  0.5434  1
  As  As4  2  0.0591  0.0000  0.3911  1
  As  As5  2  0.1302  0.0000  0.6280  1
  As  As6  2  0.3026  0.0000  0.4102  1
]