data_[Pr2Tl2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9497]
_cell_length_b [4.5953]
_cell_length_c [8.8915]
_cell_angle_alpha [79.9138]
_cell_angle_beta [78.3302]
_cell_angle_gamma [65.5587]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PrTlC]
_chemical_formula_sum '[Pr2 Tl2 C2]'
_cell_volume [143.1215]
_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  0.0966  0.6647  0.1553  1
  Tl  Tl1  2  0.3124  0.7797  0.5888  1
  C  C2  2  0.4131  0.1375  0.0328  1
]