data_[Mn2Cr4]
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 [P-1]
_cell_length_a [2.4661]
_cell_length_b [4.7057]
_cell_length_c [6.1733]
_cell_angle_alpha [77.9918]
_cell_angle_beta [82.2869]
_cell_angle_gamma [79.8114]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnCr2]
_chemical_formula_sum '[Mn2 Cr4]'
_cell_volume [68.6141]
_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  Mn0  2  0.0986  0.0822  0.1674  1.0
  Cr  Cr1  2  0.2566  0.2503  0.4990  1.0
  Cr  Cr2  2  0.4231  0.4143  0.8355  1.0
]