data_[Sm12P6Au2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8731]
_cell_length_b [4.0835]
_cell_length_c [8.2439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6P3AuS2]
_chemical_formula_sum '[Sm12 P6 Au2 S4]'
_cell_volume [585.9579]
_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  0.0002  0.0000  0.2651  1.0
  Sm  Sm1  4  0.1661  0.5000  0.5883  1.0
  Sm  Sm2  4  0.1737  0.5000  0.0862  1.0
  P  P3  4  0.1659  0.0000  0.8338  1.0
  P  P4  2  0.0000  0.5000  0.5000  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
  S  S6  4  0.1679  0.0000  0.3363  1.0
]