data_[Mn2Cr8C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.0244]
_cell_length_b [4.6723]
_cell_length_c [5.8799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnCr4C]
_chemical_formula_sum '[Mn2 Cr8 C2]'
_cell_volume [133.3534]
_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  0.5000  0.0000  0.5000  1
  Cr  Cr1  4  0.0877  0.6456  0.2045  1
  Cr  Cr2  4  0.3708  0.0932  0.1216  1
  C  C3  2  0.0000  0.0000  0.0000  1
]