data_[Pr16Tl2Ga4]
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 [17.8814]
_cell_length_b [5.0192]
_cell_length_c [8.1625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8TlGa2]
_chemical_formula_sum '[Pr16 Tl2 Ga4]'
_cell_volume [685.5396]
_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  0.0500  0.0000  0.7387  1.0
  Pr  Pr1  4  0.0989  0.5000  0.4524  1.0
  Pr  Pr2  4  0.1747  0.0000  0.2654  1.0
  Pr  Pr3  4  0.1749  0.5000  0.9475  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga5  4  0.2107  0.0000  0.6706  1.0
]