data_In2BiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   127.01
_cell_angle_beta   127.01
_cell_angle_gamma   78.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BiAs
_chemical_formula_sum   'In2 Bi1 As1'
_cell_volume   106.33
_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  In2  1  0.0  0.0  0.32  1.0
  In  In3  1  0.0  0.48  0.16  1.0
  Bi  Bi1  1  0.48  0.0  0.16  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_In2BiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   5.56
_cell_angle_alpha   116.49
_cell_angle_beta   116.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BiAs
_chemical_formula_sum   'In2 Bi1 As1'
_cell_volume   106.33
_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  0.32  0.48  0.32  1.0
  In  In1  1  0.68  0.0  0.68  1.0
  Bi  Bi2  1  0.84  0.0  0.32  1.0
  As  As3  1  0.0  0.0  0.0  1.0

In In Bi As