data_[Rb4Ta2Cu2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8024]
_cell_length_b [7.7137]
_cell_length_c [12.9345]
_cell_angle_alpha [85.1606]
_cell_angle_beta [77.0382]
_cell_angle_gamma [67.9069]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb2TaCuSe4]
_chemical_formula_sum '[Rb4 Ta2 Cu2 Se8]'
_cell_volume [522.7447]
_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  1  0.1938  0.2562  0.1095  1
  Rb  Rb1  1  0.4456  0.7441  0.6068  1
  Rb  Rb2  1  0.5511  0.2471  0.3957  1
  Rb  Rb3  1  0.8041  0.7556  0.8939  1
  Ta  Ta4  1  0.3840  0.2480  0.7480  1
  Ta  Ta5  1  0.6186  0.7508  0.2478  1
  Cu  Cu6  1  0.1254  0.7496  0.2461  1
  Cu  Cu7  1  0.8658  0.2509  0.7509  1
  Se  Se8  1  0.0916  0.4515  0.6389  1
  Se  Se9  1  0.1694  0.0505  0.8592  1
  Se  Se10  1  0.2226  0.9529  0.3601  1
  Se  Se11  1  0.4563  0.4502  0.8617  1
  Se  Se12  1  0.5383  0.5483  0.1373  1
  Se  Se13  1  0.7732  0.0589  0.6372  1
  Se  Se14  1  0.8219  0.9434  0.1429  1
  Se  Se15  1  0.9130  0.5577  0.3572  1
]