data_[Mn8Cr2O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4811]
_cell_length_b [5.8350]
_cell_length_c [6.1661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn4CrO8]
_chemical_formula_sum '[Mn8 Cr2 O16]'
_cell_volume [314.2390]
_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  4  0.2500  0.2500  0.0000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr3  2  0.0000  0.5000  0.0000  1.0
  O  O4  8  0.0275  0.2507  0.8051  1.0
  O  O5  4  0.2324  0.5000  0.1908  1.0
  O  O6  4  0.2432  0.5000  0.7860  1.0
]