data_LaCoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   142.18
_cell_angle_beta   134.2
_cell_angle_gamma   60.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCoAu2
_chemical_formula_sum   'La1 Co1 Au2'
_cell_volume   78.83
_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  La3  1  0.0  0.0  0.88  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.83  0.0  0.2  1.0
  Au  Au1  1  0.0  0.2  0.68  1.0

data_LaCoAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.4
_cell_length_c   5.66
_cell_angle_alpha   112.9
_cell_angle_beta   108.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCoAu2
_chemical_formula_sum   'La1 Co1 Au2'
_cell_volume   78.83
_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  0.12  0.12  0.12  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.32  0.52  0.52  1.0
  Au  Au3  1  0.64  0.8  0.64  1.0

La Co Au Au