data_[Pr4H4C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2013]
_cell_length_b [3.9168]
_cell_length_c [6.5952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrHC]
_chemical_formula_sum '[Pr4 H4 C4]'
_cell_volume [185.2189]
_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  4  0.1488  0.0000  0.2482  1.0
  H  H1  4  0.1864  0.0000  0.6109  1.0
  C  C2  4  0.0691  0.5000  0.9422  1.0
]