data_MnNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49
_cell_length_b   3.98
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   100.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi3
_chemical_formula_sum   'Mn1 Ni3'
_cell_volume   45.93
_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
  Ni  Ni1  1  0.97  0.99  0.45  1.0
  Ni  Ni2  1  0.81  0.0  0.31  1.0
  Ni  Ni3  1  0.66  0.99  0.18  1.0

data_MnNi3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.49
_cell_length_b   3.98
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   100.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnNi3
_chemical_formula_sum   'Mn1 Ni3'
_cell_volume   45.93
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.66  0.0  0.18  1.0
  Ni  Ni2  1  0.81  0.0  0.31  1.0
  Ni  Ni3  1  0.97  0.0  0.45  1.0

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