data_[Pr6Cu3B3Pt18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6490]
_cell_length_b [5.6490]
_cell_length_c [20.0694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2CuBPt6]
_chemical_formula_sum '[Pr6 Cu3 B3 Pt18]'
_cell_volume [554.6433]
_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
[
  Pr  Pr0  6  0.0000  0.0000  0.2908  1.0
  Cu  Cu1  3  0.0000  0.0000  0.0000  1.0
  B  B2  3  -0.0000  -0.0000  0.5000  1.0
  Pt  Pt3  18  0.0104  0.5052  0.7689  1.0
]