data_LaGa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   120.9
_cell_angle_beta   120.9
_cell_angle_gamma   88.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Cu
_chemical_formula_sum   'La1 Ga2 Cu1'
_cell_volume   81.58
_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  0.41  0.75  1.0
  Ga  Ga1  1  0.41  0.0  0.75  1.0
  Ga  Ga2  1  0.0  0.0  0.51  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_LaGa2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.89
_cell_angle_alpha   119.55
_cell_angle_beta   119.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Cu
_chemical_formula_sum   'La1 Ga2 Cu1'
_cell_volume   81.58
_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  0.34  0.75  0.34  1.0
  Ga  Ga1  1  0.51  0.51  0.51  1.0
  Ga  Ga2  1  0.75  0.34  0.34  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

La Ga Ga Cu