data_[Sm28Pt4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0503]
_cell_length_b [13.7721]
_cell_length_c [24.9494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm7PtSe5]
_chemical_formula_sum '[Sm28 Pt4 Se20]'
_cell_volume [1391.6913]
_cell_formula_units_Z [4]
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  8  0.0000  0.1387  0.0376  1
  Sm  Sm1  8  0.0000  0.2968  0.6802  1
  Sm  Sm2  8  0.0000  0.4146  0.1106  1
  Sm  Sm3  4  0.0000  0.0428  0.7500  1
  Pt  Pt4  4  0.0000  0.3053  0.2500  1
  Se  Se5  8  0.0000  0.0557  0.1450  1
  Se  Se6  8  0.0000  0.2218  0.5714  1
  Se  Se7  4  0.0000  0.5000  0.0000  1
]