data_[In3Bi2As4]
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 [6.6534]
_cell_length_b [6.7002]
_cell_length_c [19.8247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In3(BiAs2)2]
_chemical_formula_sum '[In3 Bi2 As4]'
_cell_volume [883.7730]
_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  0.9242  0.2290  0.5019  1
  In  In1  1  0.5725  0.5000  0.3758  1
  Bi  Bi2  2  0.4210  0.2552  0.5236  1
  As  As3  2  0.7260  0.1854  0.6191  1
  As  As4  1  0.6029  0.0000  0.4269  1
  As  As5  1  0.9925  0.5000  0.4081  1
]