data_[Rb4Sm8Cu12S20]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9965]
_cell_length_b [14.0287]
_cell_length_c [16.8731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbSm2Cu3S5]
_chemical_formula_sum '[Rb4 Sm8 Cu12 S20]'
_cell_volume [945.9990]
_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  0.0000  0.0662  0.2500  1
  Sm  Sm1  8  0.0000  0.1914  0.5924  1
  Cu  Cu2  8  0.0000  0.4166  0.5370  1
  Cu  Cu3  4  0.0000  0.3429  0.2500  1
  S  S4  8  0.0000  0.1637  0.0699  1
  S  S5  8  0.0000  0.4415  0.1133  1
  S  S6  4  0.0000  0.2366  0.7500  1
]