data_[Ca6Tm3Si9Pt36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4084]
_cell_length_b [8.4084]
_cell_length_c [17.1138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca2Tm(SiPt4)3]
_chemical_formula_sum '[Ca6 Tm3 Si9 Pt36]'
_cell_volume [1047.8600]
_cell_formula_units_Z [3]
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
[
  Ca  Ca0  6  0.0000  0.0000  0.4049  1
  Tm  Tm1  3  0.0000  0.0000  0.0000  1
  Si  Si2  9  0.0000  0.5000  0.5000  1
  Pt  Pt3  18  0.0283  0.5141  0.3647  1
  Pt  Pt4  18  0.0345  0.5172  0.8675  1
]