data_[In2Bi1As2]
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 [6.6698]
_cell_length_b [3.4372]
_cell_length_c [19.6955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In2BiAs2]
_chemical_formula_sum '[In2 Bi1 As2]'
_cell_volume [451.5280]
_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  1  0.0509  0.5000  0.4605  1
  In  In1  1  0.6644  0.0000  0.4680  1
  Bi  Bi2  1  0.3327  0.0000  0.3667  1
  As  As3  1  0.0293  0.5000  0.5997  1
  As  As4  1  0.7726  0.0000  0.6051  1
]