data_[Pr2Ni8C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [7.0406]
_cell_length_b [3.5484]
_cell_length_c [6.2236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PrNi4C]
_chemical_formula_sum '[Pr2 Ni8 C2]'
_cell_volume [155.4820]
_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  0.2500  0.0000  0.4169  1
  Ni  Ni1  4  0.0621  0.5000  0.7148  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  2  0.2500  0.5000  0.0372  1
  C  C4  2  0.2500  0.0000  0.8847  1
]