data_CdInAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInAs2
_chemical_formula_sum   'Cd1 In1 As2'
_cell_volume   91.38
_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
  Cd  Cd2  1  0.0  0.0  0.17  1.0
  In  In3  1  0.76  0.0  0.37  1.0
  As  As0  1  0.0  0.0  0.67  1.0
  As  As1  1  0.76  0.0  0.74  1.0

data_CdInAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInAs2
_chemical_formula_sum   'Cd1 In1 As2'
_cell_volume   91.38
_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
  Cd  Cd0  1  0.0  0.0  0.17  1.0
  In  In1  1  0.76  0.0  0.37  1.0
  As  As2  1  0.0  0.0  0.67  1.0
  As  As3  1  0.76  0.0  0.74  1.0

Cd In As As