data_[Rb6Bi4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8965]
_cell_length_b [5.6316]
_cell_length_c [7.0885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3(BiSe2)2]
_chemical_formula_sum '[Rb6 Bi4 Se8]'
_cell_volume [746.9030]
_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  0.1520  0.0000  0.6012  1
  Rb  Rb1  2  0.0000  0.0000  0.0000  1
  Bi  Bi2  4  0.1642  0.5000  0.0463  1
  Se  Se3  4  0.0647  0.5000  0.7452  1
  Se  Se4  4  0.2000  0.0000  0.1365  1
]