data_[Zr2V2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.4153]
_cell_length_b [3.5964]
_cell_length_c [18.2883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrVSe4]
_chemical_formula_sum '[Zr2 V2 Se8]'
_cell_volume [816.5722]
_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
[
  Zr  Zr0  2  0.1347  0.7500  0.0002  1
  V  V1  2  0.3895  0.2500  0.0014  1
  Se  Se2  2  0.0421  0.2500  0.0899  1
  Se  Se3  2  0.2248  0.2500  0.9117  1
  Se  Se4  2  0.3094  0.7500  0.0853  1
  Se  Se5  2  0.4572  0.7500  0.9145  1
]