data_[Pr1Sm1Si2Pt5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2727]
_cell_length_b [4.2727]
_cell_length_c [9.0217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PrSmSi2Pt5]
_chemical_formula_sum '[Pr1 Sm1 Si2 Pt5]'
_cell_volume [164.7020]
_cell_formula_units_Z [1]
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
[
  Pr  Pr0  1  0.0000  0.0000  0.5000  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  Si  Si2  2  0.5000  0.5000  0.1334  1
  Pt  Pt3  4  0.0000  0.5000  0.2604  1
  Pt  Pt4  1  0.5000  0.5000  0.5000  1
]