data_Mn2SiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   143.96
_cell_angle_beta   128.61
_cell_angle_gamma   64.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SiNi
_chemical_formula_sum   'Mn2 Si1 Ni1'
_cell_volume   43.48
_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  0.98  0.81  1.0
  Mn  Mn1  1  0.0  0.0  0.9  1.0
  Si  Si3  1  0.0  0.0  0.78  1.0
  Ni  Ni2  1  0.0  0.98  0.12  1.0

data_Mn2SiNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.97
_cell_length_c   4.57
_cell_angle_alpha   115.69
_cell_angle_beta   108.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SiNi
_chemical_formula_sum   'Mn2 Si1 Ni1'
_cell_volume   43.48
_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  0.9  0.9  1.0
  Mn  Mn1  1  0.02  0.83  0.83  1.0
  Si  Si2  1  0.0  0.78  0.78  1.0
  Ni  Ni3  1  0.02  0.13  0.13  1.0

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