data_[Rb2Ta2Cu2Se8]
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 [P2_1/m]
_cell_length_a [5.7934]
_cell_length_b [7.7326]
_cell_length_c [10.2888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbTaCuSe4]
_chemical_formula_sum '[Rb2 Ta2 Cu2 Se8]'
_cell_volume [460.2905]
_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  0.2704  0.2500  0.1325  1
  Ta  Ta1  2  0.0328  0.7500  0.2750  1
  Cu  Cu2  2  0.4653  0.2500  0.7225  1
  Se  Se3  4  0.2145  0.5024  0.7257  1
  Se  Se4  2  0.2635  0.7500  0.0843  1
  Se  Se5  2  0.2981  0.7500  0.4639  1
]