data_LaCo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   36.17
_cell_angle_beta   36.17
_cell_angle_gamma   36.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo2Au
_chemical_formula_sum   'La1 Co2 Au1'
_cell_volume   76.09
_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  0.0  1.0
  Co  Co1  1  0.0  0.0  0.82  1.0
  Co  Co2  1  0.0  0.0  0.69  1.0
  Au  Au0  1  0.0  0.0  0.75  1.0

data_LaCo2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.72
_cell_length_b   3.88
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   111.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCo2Au
_chemical_formula_sum   'La2 Co4 Au2'
_cell_volume   152.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Co  Co1  2  -0.0  0.0  0.31  1.0
  Co  Co2  2  -0.0  0.0  0.18  1.0
  Au  Au3  2  -0.0  0.0  0.25  1.0

La Co Co Au
La Co Co Au 0 1 o o - 1 3 o o o 2 3 o o o 