data_[Pr6Ga8Si4]
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 [11.3237]
_cell_length_b [4.2049]
_cell_length_c [8.4722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(Ga2Si)2]
_chemical_formula_sum '[Pr6 Ga8 Si4]'
_cell_volume [397.9846]
_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  0.1676  0.5000  0.6646  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0534  0.0000  0.3852  1
  Ga  Ga3  4  0.2245  0.5000  0.0586  1
  Si  Si4  4  0.1110  0.5000  0.2766  1
]