data_[La12Pr4Tl4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3651]
_cell_length_b [7.3157]
_cell_length_c [7.6681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3PrTlNi]
_chemical_formula_sum '[La12 Pr4 Tl4 Ni4]'
_cell_volume [749.5858]
_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
[
  La  La0  8  0.1260  0.2332  0.9193  1
  La  La1  4  0.2127  0.0000  0.3697  1
  Pr  Pr2  4  0.0000  0.2615  0.5000  1
  Tl  Tl3  4  0.1621  0.5000  0.2606  1
  Ni  Ni4  4  0.0265  0.0000  0.1924  1
]