data_[La2Y7Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [6.1312]
_cell_length_b [6.1312]
_cell_length_c [13.4687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [La2Y7Th4]
_chemical_formula_sum '[La2 Y7 Th4]'
_cell_volume [438.4823]
_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  0.3333  0.6667  0.0000  1
  Y  Y1  6  0.0000  0.3622  0.7810  1
  Y  Y2  1  0.0000  0.0000  0.0000  1
  Th  Th3  2  0.0000  0.0000  0.3921  1
  Th  Th4  2  0.3333  0.6667  0.5000  1
]