data_[Mn4V8]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9019]
_cell_length_b [12.4810]
_cell_length_c [4.0871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [MnV2]
_chemical_formula_sum '[Mn4 V8]'
_cell_volume [148.0313]
_cell_formula_units_Z [4]
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  0.0000  0.4180  0.2500  1
  V  V1  4  0.0000  0.0802  0.2500  1
  V  V2  4  0.0000  0.2457  0.7500  1
]