data_LaMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   10.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg
_chemical_formula_sum   'La4 Mg4'
_cell_volume   244.01
_cell_formula_units_Z   4
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  0.55  0.47  0.9  1.0
  La  La1  1  0.0  0.94  0.33  1.0
  La  La2  1  0.0  0.94  0.96  1.0
  La  La3  1  0.55  0.47  0.53  1.0
  Mg  Mg4  1  0.0  0.0  0.71  1.0
  Mg  Mg5  1  0.0  0.0  0.14  1.0
  Mg  Mg6  1  0.55  0.47  0.14  1.0
  Mg  Mg7  1  0.0  0.94  0.71  1.0

data_LaMg
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   10.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg
_chemical_formula_sum   'La4 Mg4'
_cell_volume   244.01
_cell_formula_units_Z   4
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  0.94  0.33  1.0
  La  La1  1  0.0  0.94  0.96  1.0
  La  La2  1  0.55  0.47  0.53  1.0
  La  La3  1  0.55  0.47  0.9  1.0
  Mg  Mg4  1  0.0  0.0  0.14  1.0
  Mg  Mg5  1  0.0  0.0  0.71  1.0
  Mg  Mg6  1  0.0  0.94  0.71  1.0
  Mg  Mg7  1  0.55  0.47  0.14  1.0

La La La La Mg Mg Mg Mg