data_[Rb4Sm4S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1248]
_cell_length_b [4.1118]
_cell_length_c [15.6349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbSmS]
_chemical_formula_sum '[Rb4 Sm4 S4]'
_cell_volume [453.4222]
_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  0.0565  0.5000  0.1464  1
  Sm  Sm1  4  0.1344  0.5000  0.3990  1
  S  S2  4  0.2292  0.5000  0.6986  1
]