data_[Pr6Be3Zn3Pt18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7211]
_cell_length_b [5.7211]
_cell_length_c [20.2025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2BeZnPt6]
_chemical_formula_sum '[Pr6 Be3 Zn3 Pt18]'
_cell_volume [572.6512]
_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  0.2883  1
  Be  Be1  3  -0.0000  -0.0000  0.5000  1
  Zn  Zn2  3  0.0000  0.0000  0.0000  1
  Pt  Pt3  18  0.0114  0.5057  0.7659  1
]