data_[Pr4Ga2B2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.8726]
_cell_length_b [5.8726]
_cell_length_c [10.6952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Pr2GaBPt6]
_chemical_formula_sum '[Pr4 Ga2 B2 Pt12]'
_cell_volume [368.8474]
_cell_formula_units_Z [2]
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  4  0.0000  0.5000  0.2853  1.0
  Ga  Ga1  2  0.0000  0.0000  0.4310  1.0
  B  B2  2  0.0000  0.0000  0.9288  1.0
  Pt  Pt3  8  0.2371  0.2371  0.0337  1.0
  Pt  Pt4  2  0.0000  0.0000  0.2116  1.0
  Pt  Pt5  2  0.0000  0.0000  0.7294  1.0
]