data_[Pr12Mo8C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.7205]
_cell_length_b [9.0007]
_cell_length_c [5.8707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3(MoC2)2]
_chemical_formula_sum '[Pr12 Mo8 C16]'
_cell_volume [619.1546]
_cell_formula_units_Z [4]
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  8  0.1181  0.1302  0.0364  1
  Pr  Pr1  4  0.0000  0.4000  0.7500  1
  Mo  Mo2  8  0.2023  0.3803  0.4094  1
  C  C3  8  0.1280  0.1771  0.5252  1
  C  C4  8  0.1662  0.4281  0.0837  1
]