data_[La3Lu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Lu  1.2700  1.7500  1.0010
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6862]
_cell_length_b [5.9804]
_cell_length_c [6.3433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [La3Lu]
_chemical_formula_sum '[La3 Lu1]'
_cell_volume [139.8360]
_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  1  0.0000  0.5000  0.3341  1.0
  La  La1  1  0.5000  0.0000  0.4966  1.0
  La  La2  1  0.5000  0.5000  0.8347  1.0
  Lu  Lu3  1  0.0000  0.0000  0.0011  1.0
]