data_Cr2InCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   141.91
_cell_angle_beta   134.31
_cell_angle_gamma   60.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InCu
_chemical_formula_sum   'Cr2 In1 Cu1'
_cell_volume   55.76
_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  0.64  0.0  0.13  1.0
  Cr  Cr1  1  0.0  0.95  0.21  1.0
  In  In3  1  0.0  0.0  0.34  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_Cr2InCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.91
_cell_length_c   5.04
_cell_angle_alpha   112.84
_cell_angle_beta   109.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InCu
_chemical_formula_sum   'Cr2 In1 Cu1'
_cell_volume   55.76
_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  0.13  0.49  1.0
  Cr  Cr1  1  0.05  0.25  0.25  1.0
  In  In2  1  0.0  0.34  0.34  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Cr Cr In Cu
Cr Cr In Cu 0 1 + - o 0 2 + o o 1 2 o + o 1 3 o + o 