data_[Pr12H2Au4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9066]
_cell_length_b [7.4212]
_cell_length_c [12.2244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6HAu2C]
_chemical_formula_sum '[Pr12 H2 Au4 C2]'
_cell_volume [523.3061]
_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  0.1263  0.5242  0.2406  1.0
  Pr  Pr1  4  0.2344  0.2050  0.0501  1.0
  Pr  Pr2  4  0.3564  0.6883  0.0549  1.0
  H  H3  2  0.5000  0.0000  0.0000  1.0
  Au  Au4  4  0.2984  0.5842  0.7510  1.0
  C  C5  2  0.0000  0.0000  0.5000  1.0
]