data_CrInAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.58
_cell_angle_alpha   101.15
_cell_angle_beta   101.15
_cell_angle_gamma   37.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInAs2
_chemical_formula_sum   'Cr1 In1 As2'
_cell_volume   75.28
_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
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.93  0.0  0.73  1.0
  As  As0  1  0.16  0.0  0.02  1.0
  As  As1  1  0.69  0.0  0.45  1.0

data_CrInAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.75
_cell_length_c   5.58
_cell_angle_alpha   101.15
_cell_angle_beta   90.0
_cell_angle_gamma   108.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInAs2
_chemical_formula_sum   'Cr1 In1 As2'
_cell_volume   75.28
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.07  0.27  1.0
  As  As2  1  0.0  0.31  0.55  1.0
  As  As3  1  0.0  0.84  0.98  1.0

Cr In As As