data_[Pr12Ga2Si4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7173]
_cell_length_b [4.2671]
_cell_length_c [8.6108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6GaSi2Cl3]
_chemical_formula_sum '[Pr12 Ga2 Si4 Cl6]'
_cell_volume [670.8728]
_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  0.0052  0.0000  0.2447  1.0
  Pr  Pr1  4  0.1634  0.5000  0.0978  1.0
  Pr  Pr2  4  0.1730  0.5000  0.5710  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  Si  Si4  4  0.1665  0.0000  0.3337  1.0
  Cl  Cl5  4  0.1674  0.0000  0.8326  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]