data_CrInNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   3.42
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   91.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInNi2
_chemical_formula_sum   'Cr1 In1 Ni2'
_cell_volume   53.57
_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  0.9  0.0  0.88  1.0
  Ni  Ni2  1  0.21  0.71  0.54  1.0
  Ni  Ni3  1  0.31  0.71  0.21  1.0

data_CrInNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   3.42
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   91.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInNi2
_chemical_formula_sum   'Cr1 In1 Ni2'
_cell_volume   53.57
_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  0.9  0.0  0.88  1.0
  Ni  Ni2  1  0.21  0.71  0.54  1.0
  Ni  Ni3  1  0.31  0.71  0.21  1.0

Cr In Ni Ni
Cr In Ni Ni 0 1 - o - 0 3 o - o 2 3 o o o 