data_[Sm12Sb2P4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9344]
_cell_length_b [4.1238]
_cell_length_c [8.2710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6SbP2S3]
_chemical_formula_sum '[Sm12 Sb2 P4 S6]'
_cell_volume [596.2806]
_cell_formula_units_Z [2]
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  0.0036  0.0000  0.2692  1.0
  Sm  Sm1  4  0.1696  0.5000  0.5789  1.0
  Sm  Sm2  4  0.1737  0.5000  0.0970  1.0
  Sb  Sb3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1677  0.0000  0.3353  1.0
  S  S5  4  0.1644  0.0000  0.8327  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]