data_[In4Bi1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.7333]
_cell_length_b [6.3267]
_cell_length_c [19.3257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In4BiAs4]
_chemical_formula_sum '[In4 Bi1 As4]'
_cell_volume [823.2709]
_cell_formula_units_Z [1]
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
[
  In  In0  2  0.8144  0.2472  0.6102  1
  In  In1  1  0.3860  0.5000  0.5285  1
  In  In2  1  0.9086  0.0000  0.4681  1
  Bi  Bi3  1  0.3719  0.0000  0.4482  1
  As  As4  2  0.6615  0.2696  0.3864  1
  As  As5  1  0.4544  0.0000  0.5879  1
  As  As6  1  0.8256  0.5000  0.4742  1
]