data_MnZnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51
_cell_length_b   8.51
_cell_length_c   8.51
_cell_angle_alpha   17.1
_cell_angle_beta   17.1
_cell_angle_gamma   17.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnFe2
_chemical_formula_sum   'Mn1 Zn1 Fe2'
_cell_volume   46.57
_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  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.58  1.0
  Fe  Fe0  1  0.0  0.0  0.77  1.0
  Fe  Fe1  1  0.0  0.0  0.39  1.0

data_MnZnFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   2.53
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   99.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnZnFe2
_chemical_formula_sum   'Mn2 Zn2 Fe4'
_cell_volume   93.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Zn  Zn1  2  0.0  0.0  0.42  1.0
  Fe  Fe2  2  0.0  0.0  0.23  1.0
  Fe  Fe3  2  0.0  0.0  0.61  1.0

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