data_[Sm12P6S4O2]
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 [17.3145]
_cell_length_b [4.0023]
_cell_length_c [7.9760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6P3S2O]
_chemical_formula_sum '[Sm12 P6 S4 O2]'
_cell_volume [538.5897]
_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  0.0026  0.0000  0.7628  1.0
  Sm  Sm1  4  0.1576  0.5000  0.0750  1.0
  Sm  Sm2  4  0.1653  0.5000  0.5883  1.0
  P  P3  4  0.1695  0.0000  0.8368  1.0
  P  P4  2  0.0000  0.5000  0.5000  1.0
  S  S5  4  0.1650  0.0000  0.3321  1.0
  O  O6  2  0.0000  0.5000  0.0000  1.0
]