data_[Pr3Be1B2Pt9]
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
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8192]
_cell_length_b [5.8192]
_cell_length_c [9.0378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Pr3BeB2Pt9]
_chemical_formula_sum '[Pr3 Be1 B2 Pt9]'
_cell_volume [265.0412]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.3869  1.0
  Pr  Pr1  1  0.0000  0.0000  0.0000  1.0
  Be  Be2  1  0.0000  0.0000  0.5000  1.0
  B  B3  2  0.3333  0.6667  0.8434  1.0
  Pt  Pt4  6  0.1625  0.3250  0.7016  1.0
  Pt  Pt5  3  0.0000  0.5000  0.0000  1.0
]