data_[Sm12Cd4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2142]
_cell_length_b [3.9680]
_cell_length_c [15.4785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm3CdS]
_chemical_formula_sum '[Sm12 Cd4 S4]'
_cell_volume [565.9195]
_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
[
  Sm  Sm0  4  0.0182  0.7500  0.3924  1
  Sm  Sm1  4  0.1635  0.7500  0.9747  1
  Sm  Sm2  4  0.1731  0.2500  0.2004  1
  Cd  Cd3  4  0.1122  0.2500  0.8114  1
  S  S4  4  0.1687  0.7500  0.5489  1
]