data_[Rb4Te4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5450]
_cell_length_b [6.7295]
_cell_length_c [13.4657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbTeSe3]
_chemical_formula_sum '[Rb4 Te4 Se12]'
_cell_volume [681.4388]
_cell_formula_units_Z [4]
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  0.1472  0.6164  0.8644  1.0
  Te  Te1  4  0.3757  0.0669  0.1273  1.0
  Se  Se2  4  0.1203  0.1000  0.9723  1.0
  Se  Se3  4  0.3382  0.5064  0.2111  1.0
  Se  Se4  4  0.4508  0.6941  0.0785  1.0
]