data_MnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   158.61
_cell_angle_beta   145.46
_cell_angle_gamma   40.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2
_chemical_formula_sum   'Mn2 Cr4'
_cell_volume   74.08
_cell_formula_units_Z   2
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  Mn4  1  0.0  0.06  0.72  1.0
  Mn  Mn5  1  0.32  0.06  0.94  1.0
  Cr  Cr0  1  0.0  0.06  0.2  1.0
  Cr  Cr1  1  0.0  0.06  0.43  1.0
  Cr  Cr2  1  0.32  0.06  0.23  1.0
  Cr  Cr3  1  0.32  0.06  0.45  1.0

data_MnCr2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.64
_cell_length_b   4.22
_cell_length_c   7.11
_cell_angle_alpha   107.27
_cell_angle_beta   100.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnCr2
_chemical_formula_sum   'Mn2 Cr4'
_cell_volume   74.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.05  0.89  0.05  1.0
  Cr  Cr1  2  0.24  0.4  0.24  1.0
  Cr  Cr2  2  0.47  0.63  0.47  1.0

Mn Mn Cr Cr Cr Cr