data_[La4Tl5Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.3852]
_cell_length_b [3.9660]
_cell_length_c [9.8415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4Tl5Ga2]
_chemical_formula_sum '[La4 Tl5 Ga2]'
_cell_volume [327.2280]
_cell_formula_units_Z [1]
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  2  0.2059  0.5000  0.8549  1.0
  La  La1  2  0.2358  0.5000  0.4032  1.0
  Tl  Tl2  2  0.1340  0.0000  0.1306  1.0
  Tl  Tl3  2  0.4379  0.0000  0.6565  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Ga  Ga5  2  0.0753  0.0000  0.6198  1.0
]