data_[Sm12P2Pt4Se6]
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
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5333]
_cell_length_b [4.1042]
_cell_length_c [8.4908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6PPt2Se3]
_chemical_formula_sum '[Sm12 P2 Pt4 Se6]'
_cell_volume [622.7230]
_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  0.0037  0.0000  0.2398  1.0
  Sm  Sm1  4  0.1631  0.5000  0.1009  1.0
  Sm  Sm2  4  0.1684  0.5000  0.5797  1.0
  P  P3  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt4  4  0.1680  0.0000  0.3413  1.0
  Se  Se5  4  0.1634  0.0000  0.8414  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]