data_MnZnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   143.29
_cell_angle_beta   129.01
_cell_angle_gamma   64.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnFe2
_chemical_formula_sum   'Mn1 Zn1 Fe2'
_cell_volume   48.55
_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  Mn2  1  0.0  0.0  0.08  1.0
  Zn  Zn3  1  0.49  0.0  0.97  1.0
  Fe  Fe0  1  0.0  0.0  0.9  1.0
  Fe  Fe1  1  0.0  0.04  0.06  1.0

data_MnZnFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.07
_cell_length_c   4.73
_cell_angle_alpha   115.49
_cell_angle_beta   108.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnFe2
_chemical_formula_sum   'Mn1 Zn1 Fe2'
_cell_volume   48.55
_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  0.92  0.92  0.92  1.0
  Zn  Zn1  1  0.52  0.03  0.52  1.0
  Fe  Fe2  1  0.1  0.1  0.1  1.0
  Fe  Fe3  1  0.94  0.98  0.98  1.0

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