data_[Pr16Sn4Bi4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1831]
_cell_length_b [16.6377]
_cell_length_c [7.1853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr4SnBiC]
_chemical_formula_sum '[Pr16 Sn4 Bi4 C4]'
_cell_volume [858.7170]
_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  8  0.2500  0.2500  0.0000  1
  Pr  Pr1  4  0.0000  0.0888  0.2500  1
  Pr  Pr2  4  0.0000  0.4073  0.2500  1
  Sn  Sn3  4  0.0000  0.1109  0.7500  1
  Bi  Bi4  4  0.0000  0.3923  0.7500  1
  C  C5  4  0.0000  0.2494  0.2500  1
]