data_[K4Mn4V4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7190]
_cell_length_b [15.5536]
_cell_length_c [9.8070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KMnVSe3]
_chemical_formula_sum '[K4 Mn4 V4 Se12]'
_cell_volume [567.2785]
_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
[
  K  K0  4  0.0000  0.2464  0.2500  1.0
  Mn  Mn1  4  0.0000  0.4712  0.7500  1.0
  V  V2  4  0.0000  0.0000  0.0000  1.0
  Se  Se3  8  0.0000  0.3847  0.5472  1.0
  Se  Se4  4  0.0000  0.0722  0.7500  1.0
]