data_La2MgCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgCu
_chemical_formula_sum   'La2 Mg1 Cu1'
_cell_volume   110.31
_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  La1  1  0.49  0.0  0.02  1.0
  La  La2  1  0.49  0.0  0.39  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.21  1.0

data_La2MgCu
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.62
_cell_length_b   8.41
_cell_length_c   3.62
_cell_angle_alpha   90.0
_cell_angle_beta   93.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   La2MgCu
_chemical_formula_sum   'La2 Mg1 Cu1'
_cell_volume   110.31
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.5  0.61  0.0  1.0
  La  La1  1  0.5  0.98  0.0  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.79  0.0  1.0

La La Mg Cu