data_[Ce4Te4Pt20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3816]
_cell_length_b [5.5436]
_cell_length_c [10.4411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeTePt5]
_chemical_formula_sum '[Ce4 Te4 Pt20]'
_cell_volume [543.0172]
_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
[
  Ce  Ce0  4  0.2253  0.2500  0.0293  1
  Te  Te1  4  0.1365  0.7500  0.8225  1
  Pt  Pt2  8  0.1072  0.0017  0.2905  1
  Pt  Pt3  4  0.0159  0.2500  0.5002  1
  Pt  Pt4  4  0.0851  0.7500  0.0634  1
  Pt  Pt5  4  0.1450  0.2500  0.7462  1
]