data_CrInCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInCu
_chemical_formula_sum   'Cr1 In1 Cu1'
_cell_volume   46.65
_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  0.11  1.0
  In  In2  1  0.43  0.82  0.42  1.0
  Cu  Cu1  1  0.0  0.65  0.09  1.0

data_CrInCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInCu
_chemical_formula_sum   'Cr1 In1 Cu1'
_cell_volume   46.65
_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  0.11  1.0
  In  In1  1  0.43  0.82  0.42  1.0
  Cu  Cu2  1  0.0  0.65  0.09  1.0

Cr In Cu
Cr In Cu 0 2 o - o 0 1 o o o 0 1 o - o 0 1 - - o 1 2 o o o 1 2 + o o 1 2 + + o 1 1 + + o 1 1 o + o 1 1 + o o 