data_[Pr16Tl4Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5876]
_cell_length_b [5.4011]
_cell_length_c [7.0180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Tl2Ga]
_chemical_formula_sum '[Pr16 Tl4 Ga2]'
_cell_volume [712.4283]
_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  0.0092  0.0000  0.7722  1.0
  Pr  Pr1  4  0.0902  0.5000  0.4660  1.0
  Pr  Pr2  4  0.1548  0.5000  0.9855  1.0
  Pr  Pr3  4  0.2080  0.0000  0.3148  1.0
  Tl  Tl4  4  0.1757  0.0000  0.7448  1.0
  Ga  Ga5  2  0.0000  0.5000  0.0000  1.0
]