data_[Rb2Ca2V2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  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 [6.7749]
_cell_length_b [7.1066]
_cell_length_c [9.4920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2620]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbCaVSe4]
_chemical_formula_sum '[Rb2 Ca2 V2 Se8]'
_cell_volume [433.9898]
_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
[
  Rb  Rb0  2  0.2636  0.2500  0.0652  1.0
  Ca  Ca1  2  0.2249  0.2500  0.5441  1.0
  V  V2  2  0.2118  0.7500  0.3263  1.0
  Se  Se3  4  0.0105  0.5046  0.7172  1.0
  Se  Se4  2  0.4077  0.7500  0.5682  1.0
  Se  Se5  2  0.4131  0.7500  0.1726  1.0
]