data_LaMg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg5
_chemical_formula_sum   'La1 Mg5'
_cell_volume   157.44
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.21  0.0  0.47  1.0
  Mg  Mg2  1  0.43  0.47  0.47  1.0
  Mg  Mg3  1  0.39  0.78  0.47  1.0
  Mg  Mg4  1  0.03  0.75  0.0  1.0
  Mg  Mg5  1  0.0  0.5  0.0  1.0

data_LaMg5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg5
_chemical_formula_sum   'La1 Mg5'
_cell_volume   157.44
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.5  1.0
  Mg  Mg2  1  0.0  0.03  0.75  1.0
  Mg  Mg3  1  0.47  0.21  0.0  1.0
  Mg  Mg4  1  0.47  0.39  0.78  1.0
  Mg  Mg5  1  0.47  0.43  0.47  1.0

La Mg Mg Mg Mg Mg