data_[Pr4W4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4111]
_cell_length_b [3.4226]
_cell_length_c [5.9650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2W2C3]
_chemical_formula_sum '[Pr4 W4 C6]'
_cell_volume [228.0099]
_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  0.1067  0.5000  0.8103  1.0
  W  W1  4  0.1591  0.0000  0.3216  1.0
  C  C2  4  0.2464  0.5000  0.2765  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]