data_[Sm4P2H2Pt12]
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
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.7644]
_cell_length_b [8.4390]
_cell_length_c [6.9830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sm2PHPt6]
_chemical_formula_sum '[Sm4 P2 H2 Pt12]'
_cell_volume [339.6925]
_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  0.0000  0.2797  0.2235  1.0
  P  P1  2  0.0000  0.0000  0.8270  1.0
  H  H2  2  0.0000  0.5000  0.6425  1.0
  Pt  Pt3  4  0.0000  0.2483  0.6824  1.0
  Pt  Pt4  4  0.2373  0.5000  0.9228  1.0
  Pt  Pt5  4  0.2386  0.0000  0.4886  1.0
]