data_[Mn4V16Co2]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0927]
_cell_length_b [4.1192]
_cell_length_c [6.4047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2V8Co]
_chemical_formula_sum '[Mn4 V16 Co2]'
_cell_volume [275.3312]
_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  0.2273  0.0000  0.6362  1.0
  V  V1  4  0.0474  0.0000  0.7268  1.0
  V  V2  4  0.0945  0.5000  0.4549  1.0
  V  V3  4  0.1389  0.0000  0.1891  1.0
  V  V4  4  0.1813  0.5000  0.9148  1.0
  Co  Co5  2  0.0000  0.5000  0.0000  1.0
]