data_La2AsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   4.65
_cell_angle_alpha   90.51
_cell_angle_beta   90.51
_cell_angle_gamma   39.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AsAu
_chemical_formula_sum   'La2 As1 Au1'
_cell_volume   111.79
_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  La2  1  0.06  0.0  0.56  1.0
  La  La3  1  0.53  0.0  0.93  1.0
  As  As0  1  0.42  0.0  0.88  1.0
  Au  Au1  1  0.19  0.0  0.61  1.0

data_La2AsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.65
_cell_length_c   6.12
_cell_angle_alpha   90.51
_cell_angle_beta   109.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AsAu
_chemical_formula_sum   'La2 As1 Au1'
_cell_volume   111.79
_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  0.0  0.56  0.06  1.0
  La  La1  1  0.0  0.93  0.53  1.0
  As  As2  1  0.0  0.88  0.42  1.0
  Au  Au3  1  0.0  0.61  0.19  1.0

La La As Au