data_MnZnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   144.59
_cell_angle_beta   135.37
_cell_angle_gamma   58.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnNi
_chemical_formula_sum   'Mn1 Zn1 Ni1'
_cell_volume   38.18
_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  0.04  1.0
  Zn  Zn2  1  0.0  0.0  0.63  1.0
  Ni  Ni1  1  0.0  0.0  0.29  1.0

data_MnZnNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.46
_cell_length_c   4.56
_cell_angle_alpha   112.32
_cell_angle_beta   107.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnNi
_chemical_formula_sum   'Mn1 Zn1 Ni1'
_cell_volume   38.18
_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  0.96  0.96  0.96  1.0
  Zn  Zn1  1  0.37  0.37  0.37  1.0
  Ni  Ni2  1  0.71  0.71  0.71  1.0

Mn Zn Ni
Mn Zn Ni 0 2 o o o 1 2 o o o 