data_[Rb2Th1Bi1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1942]
_cell_length_b [4.1915]
_cell_length_c [8.2047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Rb2ThBiS4]
_chemical_formula_sum '[Rb2 Th1 Bi1 S4]'
_cell_volume [257.1109]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Rb  Rb1  1  0.5000  0.0000  0.5000  1
  Th  Th2  1  0.5000  0.5000  0.0000  1
  Bi  Bi3  1  0.0000  0.0000  0.0000  1
  S  S4  2  0.2542  0.5000  0.1645  1
  S  S5  2  0.3095  0.0000  0.7785  1
]