data_La3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33
_cell_length_b   7.33
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Mg
_chemical_formula_sum   'La6 Mg2'
_cell_volume   267.72
_cell_formula_units_Z   2
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  0.74  0.24  0.31  1.0
  La  La1  1  0.26  0.24  0.31  1.0
  La  La2  1  0.0  0.23  0.31  1.0
  La  La3  1  0.67  0.12  0.44  1.0
  La  La4  1  0.4  0.11  0.44  1.0
  La  La5  1  0.93  0.11  0.44  1.0
  Mg  Mg6  1  0.67  0.12  0.31  1.0
  Mg  Mg7  1  0.0  0.23  0.44  1.0

data_La3Mg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.75
_cell_length_b   7.33
_cell_length_c   7.33
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   La3Mg
_chemical_formula_sum   'La6 Mg2'
_cell_volume   267.72
_cell_formula_units_Z   2
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  2  0.06  0.07  0.94  1.0
  La  La1  2  0.06  0.33  0.95  1.0
  La  La2  2  0.06  0.6  0.94  1.0
  Mg  Mg3  2  0.06  0.67  0.06  1.0

La La La La La La Mg Mg