data_[Rb2V2Cu6Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8191]
_cell_length_b [7.6442]
_cell_length_c [9.8660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbVCu3Se4]
_chemical_formula_sum '[Rb2 V2 Cu6 Se8]'
_cell_volume [419.8452]
_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  0.1793  0.7500  0.8829  1
  V  V1  2  0.3552  0.2500  0.7113  1
  Cu  Cu2  4  0.2809  0.5111  0.4965  1
  Cu  Cu3  2  0.1464  0.7500  0.2914  1
  Se  Se4  4  0.4010  0.0048  0.2761  1
  Se  Se5  2  0.0222  0.2500  0.4962  1
  Se  Se6  2  0.2131  0.2500  0.9071  1
]