data_CrInNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   3.32
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInNi2
_chemical_formula_sum   'Cr1 In1 Ni2'
_cell_volume   54.14
_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  0.0  0.93  1.0
  Ni  Ni2  1  0.39  0.66  0.63  1.0
  Ni  Ni3  1  0.39  0.66  0.23  1.0

data_CrInNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.32
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInNi2
_chemical_formula_sum   'Cr1 In1 Ni2'
_cell_volume   54.14
_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  0.0  0.93  1.0
  Ni  Ni2  1  0.39  0.66  0.23  1.0
  Ni  Ni3  1  0.39  0.66  0.63  1.0

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