data_[Lu1Pa1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Pa  1.5000  1.8000  1.0400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0118]
_cell_length_b [5.0118]
_cell_length_c [3.3079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LuPaAu]
_chemical_formula_sum '[Lu1 Pa1 Au1]'
_cell_volume [71.9555]
_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
[
  Lu  Lu0  1  0.6667  0.3333  0.3910  1
  Pa  Pa1  1  0.0000  0.0000  0.9499  1
  Au  Au2  1  0.3333  0.6667  0.6591  1
]