data_[Sm12P4S6O2]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4133]
_cell_length_b [3.9704]
_cell_length_c [7.9713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6P2S3O]
_chemical_formula_sum '[Sm12 P4 S6 O2]'
_cell_volume [533.3061]
_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  0.0005  0.0000  0.2259  1.0
  Sm  Sm1  4  0.1515  0.5000  0.0797  1.0
  Sm  Sm2  4  0.1676  0.5000  0.5791  1.0
  P  P3  4  0.1646  0.0000  0.3301  1.0
  S  S4  4  0.1706  0.0000  0.8372  1.0
  S  S5  2  0.0000  0.5000  0.5000  1.0
  O  O6  2  0.0000  0.5000  0.0000  1.0
]