data_MgMn2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   146.54
_cell_angle_beta   129.17
_cell_angle_gamma   62.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Ni
_chemical_formula_sum   'Mg1 Mn2 Ni1'
_cell_volume   56.67
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.47  0.0  0.41  1.0
  Mn  Mn2  1  0.0  0.2  0.97  1.0
  Ni  Ni3  1  0.0  0.0  0.38  1.0

data_MgMn2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.39
_cell_length_c   5.12
_cell_angle_alpha   115.41
_cell_angle_beta   106.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Ni
_chemical_formula_sum   'Mg1 Mn2 Ni1'
_cell_volume   56.67
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.41  0.93  1.0
  Mn  Mn2  1  0.8  0.78  0.78  1.0
  Ni  Ni3  1  0.0  0.38  0.38  1.0

Mg Mn Mn Ni