data_[Mn2V16Cr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8104]
_cell_length_b [4.1752]
_cell_length_c [4.8640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(V4Cr)2]
_chemical_formula_sum '[Mn2 V16 Cr4]'
_cell_volume [280.4442]
_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  0.5000  0.0000  1.0
  V  V1  4  0.0464  0.0000  0.7345  1.0
  V  V2  4  0.0908  0.5000  0.4450  1.0
  V  V3  4  0.1379  0.0000  0.1910  1.0
  V  V4  4  0.1813  0.5000  0.9113  1.0
  Cr  Cr5  4  0.2272  0.0000  0.6311  1.0
]