data_[Pr4Mg12Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4655]
_cell_length_b [4.8818]
_cell_length_c [7.8394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrMg3Tl2]
_chemical_formula_sum '[Pr4 Mg12 Tl8]'
_cell_volume [621.1054]
_cell_formula_units_Z [4]
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  0.1187  0.0000  0.1823  1.0
  Mg  Mg1  4  0.0707  0.0000  0.6989  1.0
  Mg  Mg2  4  0.1313  0.5000  0.5068  1.0
  Mg  Mg3  4  0.1968  0.5000  0.9204  1.0
  Tl  Tl4  4  0.0174  0.5000  0.8227  1.0
  Tl  Tl5  4  0.2368  0.0000  0.6730  1.0
]