data_[Pr12Ga4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6545]
_cell_length_b [4.1966]
_cell_length_c [8.6206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3GaSi]
_chemical_formula_sum '[Pr12 Ga4 Si4]'
_cell_volume [565.3522]
_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  0.0466  0.0000  0.1738  1
  Pr  Pr1  4  0.0939  0.5000  0.5785  1
  Pr  Pr2  4  0.2369  0.0000  0.8240  1
  Ga  Ga3  4  0.2092  0.0000  0.4299  1
  Si  Si4  4  0.1059  0.5000  0.9327  1
]