data_[Pr2Ru2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4697]
_cell_length_b [5.7441]
_cell_length_c [5.9030]
_cell_angle_alpha [108.6992]
_cell_angle_beta [90.1082]
_cell_angle_gamma [101.3979]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PrRuC]
_chemical_formula_sum '[Pr2 Ru2 C2]'
_cell_volume [108.9718]
_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  2  0.3387  0.2944  0.6787  1.0
  Ru  Ru1  2  0.2004  0.8418  0.8568  1.0
  C  C2  2  0.2581  0.0240  0.2275  1.0
]