data_[Rb2Sm1Th1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1840]
_cell_length_b [4.1603]
_cell_length_c [8.1105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Rb2SmThS4]
_chemical_formula_sum '[Rb2 Sm1 Th1 S4]'
_cell_volume [231.6241]
_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
  Sm  Sm2  1  0.5000  0.5000  0.0000  1
  Th  Th3  1  0.0000  0.0000  0.0000  1
  S  S4  2  0.2313  0.5000  0.1997  1
  S  S5  2  0.2639  0.0000  0.8015  1
]