data_Cr2InNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   4.0
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InNi
_chemical_formula_sum   'Cr2 In1 Ni1'
_cell_volume   56.92
_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  0.39  1.0  0.97  1.0
  Cr  Cr1  1  0.39  1.0  0.17  1.0
  In  In2  1  0.0  0.0  0.57  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Cr2InNi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.77
_cell_length_b   4.0
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr2InNi
_chemical_formula_sum   'Cr2 In1 Ni1'
_cell_volume   56.92
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.39  0.0  0.17  1.0
  Cr  Cr1  1  0.39  0.0  0.97  1.0
  In  In2  1  0.0  0.0  0.57  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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