data_[Bi7As7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [9.1880]
_cell_length_b [18.2204]
_cell_length_c [10.0343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [BiAs]
_chemical_formula_sum '[Bi7 As7]'
_cell_volume [1500.0689]
_cell_formula_units_Z [7]
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
[
  Bi  Bi0  2  0.1555  0.4159  0.4430  1
  Bi  Bi1  2  0.2347  0.4630  0.7700  1
  Bi  Bi2  2  0.3759  0.4498  0.1683  1
  Bi  Bi3  1  0.5000  0.5772  0.5000  1
  As  As4  2  0.0699  0.5175  0.1391  1
  As  As5  2  0.1653  0.5591  0.5369  1
  As  As6  2  0.3095  0.5927  0.1696  1
  As  As7  1  0.5000  0.4267  0.5000  1
]