data_[Pr4Co4Si12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0439]
_cell_length_b [21.2970]
_cell_length_c [4.0993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [PrCoSi3]
_chemical_formula_sum '[Pr4 Co4 Si12]'
_cell_volume [353.0391]
_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  0.0000  0.3314  0.5000  1.0
  Co  Co1  4  0.0000  0.1060  0.0000  1.0
  Si  Si2  4  0.0000  0.0558  0.5000  1.0
  Si  Si3  4  0.0000  0.2151  0.0000  1.0
  Si  Si4  4  0.0000  0.4440  0.0000  1.0
]