data_Mn2ZnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46
_cell_length_b   2.46
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnCr
_chemical_formula_sum   'Mn2 Zn1 Cr1'
_cell_volume   46.66
_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  0.41  0.0  0.92  1.0
  Mn  Mn2  1  0.41  0.0  0.28  1.0
  Zn  Zn3  1  0.0  0.0  0.1  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Mn2ZnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.46
_cell_length_b   2.46
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnCr
_chemical_formula_sum   'Mn2 Zn1 Cr1'
_cell_volume   46.66
_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  0.41  0.0  0.28  1.0
  Mn  Mn1  1  0.41  0.0  0.92  1.0
  Zn  Zn2  1  0.0  0.0  0.1  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Mn Mn Zn Cr
Mn Mn Zn Cr 0 3 o o + 1 2 o o o 1 2 + o o 2 3 o o o 