data_Mn2ZnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   4.37
_cell_angle_alpha   130.74
_cell_angle_beta   130.74
_cell_angle_gamma   72.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnNi
_chemical_formula_sum   'Mn2 Zn1 Ni1'
_cell_volume   46.77
_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
  Mn  Mn1  1  0.82  0.0  0.76  1.0
  Zn  Zn3  1  0.0  0.82  0.76  1.0
  Ni  Ni2  1  0.0  0.0  0.53  1.0

data_Mn2ZnNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   4.37
_cell_angle_alpha   114.63
_cell_angle_beta   114.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnNi
_chemical_formula_sum   'Mn2 Zn1 Ni1'
_cell_volume   46.77
_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
  Mn  Mn1  1  0.24  0.0  0.06  1.0
  Zn  Zn2  1  0.06  0.82  0.06  1.0
  Ni  Ni3  1  0.47  0.0  0.47  1.0

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