data_[Mn8Cr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.8766]
_cell_length_b [3.9193]
_cell_length_c [7.1267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Mn2Cr]
_chemical_formula_sum '[Mn8 Cr4]'
_cell_volume [136.2106]
_cell_formula_units_Z [4]
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  4  0.0268  0.2500  0.7661  1.0
  Mn  Mn1  4  0.1661  0.2500  0.4296  1.0
  Cr  Cr2  4  0.1743  0.2500  0.0877  1.0
]