data_[Pr12Ga6Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0470]
_cell_length_b [8.1174]
_cell_length_c [12.4277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.8731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Ga3Sn]
_chemical_formula_sum '[Pr12 Ga6 Sn2]'
_cell_volume [623.0181]
_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  0.1007  0.6596  0.9284  1
  Pr  Pr1  4  0.2722  0.1696  0.9275  1
  Pr  Pr2  4  0.4919  0.5954  0.7577  1
  Ga  Ga3  4  0.2063  0.6410  0.2503  1
  Ga  Ga4  2  0.5000  0.0000  0.5000  1
  Sn  Sn5  2  0.0000  0.0000  0.0000  1
]