data_MnZnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.5
_cell_angle_alpha   100.5
_cell_angle_beta   100.5
_cell_angle_gamma   35.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnNi2
_chemical_formula_sum   'Mn1 Zn1 Ni2'
_cell_volume   48.21
_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
  Zn  Zn3  1  0.69  0.0  0.21  1.0
  Ni  Ni1  1  0.42  0.0  0.32  1.0
  Ni  Ni2  1  0.95  0.0  0.1  1.0

data_MnZnNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.32
_cell_length_c   4.5
_cell_angle_alpha   100.5
_cell_angle_beta   90.0
_cell_angle_gamma   107.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnNi2
_chemical_formula_sum   'Mn1 Zn1 Ni2'
_cell_volume   48.21
_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
  Zn  Zn1  1  0.0  0.31  0.79  1.0
  Ni  Ni2  1  0.0  0.05  0.9  1.0
  Ni  Ni3  1  0.0  0.58  0.68  1.0

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