data_[Pr6Si4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2986]
_cell_length_b [16.7585]
_cell_length_c [4.2264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr3(SiC)2]
_chemical_formula_sum '[Pr6 Si4 C4]'
_cell_volume [304.4640]
_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  4  0.0000  0.3424  0.0000  1.0
  Pr  Pr1  2  0.0000  0.0000  0.5000  1.0
  Si  Si2  4  0.0000  0.2032  0.5000  1.0
  C  C3  4  0.1492  0.5000  0.0000  1.0
]