data_[Na4Sm4Pt4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [4.0042]
_cell_length_b [14.5277]
_cell_length_c [10.4361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaSmPtSe3]
_chemical_formula_sum '[Na4 Sm4 Pt4 Se12]'
_cell_volume [607.0901]
_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
[
  Na  Na0  4  0.0000  0.2655  0.2500  1
  Sm  Sm1  4  0.0000  0.5000  0.0000  1
  Pt  Pt2  4  0.0000  0.0100  0.7500  1
  Se  Se3  8  0.0000  0.1357  0.5829  1
  Se  Se4  4  0.0000  0.4024  0.7500  1
]