data_[Rb2Ca2Ta2Se8]
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
  Ta  1.5000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0125]
_cell_length_b [7.3133]
_cell_length_c [9.5187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbCaTaSe4]
_chemical_formula_sum '[Rb2 Ca2 Ta2 Se8]'
_cell_volume [465.2128]
_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  0.2570  0.2500  0.0620  1.0
  Ca  Ca1  2  0.2227  0.2500  0.5472  1.0
  Ta  Ta2  2  0.2243  0.7500  0.3293  1.0
  Se  Se3  4  0.0043  0.5072  0.7123  1.0
  Se  Se4  2  0.4287  0.7500  0.1664  1.0
  Se  Se5  2  0.4311  0.7500  0.5798  1.0
]