data_Mn2ZnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   2.44
_cell_angle_alpha   100.71
_cell_angle_beta   100.71
_cell_angle_gamma   118.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnFe
_chemical_formula_sum   'Mn2 Zn1 Fe1'
_cell_volume   47.01
_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  Mn1  1  0.79  0.09  0.14  1.0
  Mn  Mn2  1  0.79  0.91  0.14  1.0
  Zn  Zn3  1  0.48  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Mn2ZnFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.44
_cell_length_b   4.66
_cell_length_c   4.85
_cell_angle_alpha   116.44
_cell_angle_beta   100.71
_cell_angle_gamma   97.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnFe
_chemical_formula_sum   'Mn2 Zn1 Fe1'
_cell_volume   47.01
_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  0.05  0.91  0.71  1.0
  Mn  Mn1  1  0.22  0.09  0.88  1.0
  Zn  Zn2  1  0.0  0.0  0.48  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

Mn Mn Zn Fe