data_[Mn2Cr10]
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 [C2/m]
_cell_length_a [8.9849]
_cell_length_b [2.8419]
_cell_length_c [5.6868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnCr5]
_chemical_formula_sum '[Mn2 Cr10]'
_cell_volume [137.6243]
_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  0.0000  0.0000  0.0000  1.0
  Cr  Cr1  4  0.1665  0.5000  0.3337  1.0
  Cr  Cr2  4  0.1686  0.5000  0.8336  1.0
  Cr  Cr3  2  0.0000  0.0000  0.5000  1.0
]