data_MnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   3.76
_cell_angle_alpha   124.95
_cell_angle_beta   109.89
_cell_angle_gamma   94.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2
_chemical_formula_sum   'Mn1 Cr2'
_cell_volume   38.17
_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
  Cr  Cr0  1  0.0  0.16  0.13  1.0
  Cr  Cr1  1  0.74  0.0  0.42  1.0

data_MnCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.76
_cell_length_c   3.76
_cell_angle_alpha   70.11
_cell_angle_beta   62.48
_cell_angle_gamma   62.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2
_chemical_formula_sum   'Mn1 Cr2'
_cell_volume   38.17
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.26  0.42  1.0
  Cr  Cr2  1  0.16  0.0  0.97  1.0

Mn Cr Cr
Mn Cr Cr 0 1 o o o 0 2 - o o 0 2 - o - 1 2 - o o 1 2 - o - 