data_CrInCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.79
_cell_angle_alpha   101.63
_cell_angle_beta   101.63
_cell_angle_gamma   37.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInCu2
_chemical_formula_sum   'Cr1 In1 Cu2'
_cell_volume   62.5
_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  In3  1  0.91  0.0  0.34  1.0
  Cu  Cu1  1  0.47  0.0  0.66  1.0
  Cu  Cu2  1  0.36  0.0  0.02  1.0

data_CrInCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.67
_cell_length_c   4.79
_cell_angle_alpha   101.63
_cell_angle_beta   90.0
_cell_angle_gamma   108.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInCu2
_chemical_formula_sum   'Cr1 In1 Cu2'
_cell_volume   62.5
_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  0.09  0.66  1.0
  Cu  Cu2  1  0.0  0.53  0.34  1.0
  Cu  Cu3  1  0.0  0.64  0.98  1.0

Cr In Cu Cu