data_[Rb6Ca4Ta2Se12]
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 [C2/m]
_cell_length_a [7.2936]
_cell_length_b [12.6180]
_cell_length_c [8.2585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Ca2TaSe6]
_chemical_formula_sum '[Rb6 Ca4 Ta2 Se12]'
_cell_volume [726.1405]
_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  4  0.0000  0.1737  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Ca  Ca2  4  0.0000  0.3341  0.0000  1.0
  Ta  Ta3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2127  0.1492  0.1901  1.0
  Se  Se5  4  0.2325  0.0000  0.8078  1.0
]