data_MnIn2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   123.81
_cell_angle_beta   121.1
_cell_angle_gamma   85.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Ni
_chemical_formula_sum   'Mn1 In2 Ni1'
_cell_volume   67.2
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.18  0.0  0.71  1.0
  In  In1  1  0.0  0.28  0.68  1.0
  Ni  Ni3  1  0.0  0.0  0.39  1.0

data_MnIn2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.55
_cell_length_c   4.63
_cell_angle_alpha   119.45
_cell_angle_beta   118.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Ni
_chemical_formula_sum   'Mn1 In2 Ni1'
_cell_volume   67.2
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.32  0.59  0.59  1.0
  In  In2  1  0.47  0.29  0.47  1.0
  Ni  Ni3  1  0.61  0.61  0.61  1.0

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