data_LaMg15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg15
_chemical_formula_sum   'La1 Mg15'
_cell_volume   390.12
_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  0.18  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.41  0.89  0.18  1.0
  Mg  Mg3  1  0.94  0.85  0.0  1.0
  Mg  Mg4  1  0.59  0.89  0.18  1.0
  Mg  Mg5  1  0.66  0.85  0.0  1.0
  Mg  Mg6  1  0.0  0.65  0.18  1.0
  Mg  Mg7  1  0.3  0.01  0.0  1.0
  Mg  Mg8  1  0.0  0.92  0.53  1.0
  Mg  Mg9  1  0.0  0.92  0.83  1.0
  Mg  Mg10  1  0.37  0.75  0.53  1.0
  Mg  Mg11  1  0.37  0.75  0.83  1.0
  Mg  Mg12  1  0.63  0.75  0.53  1.0
  Mg  Mg13  1  0.63  0.75  0.83  1.0
  Mg  Mg14  1  0.3  0.9  0.64  1.0
  Mg  Mg15  1  0.3  0.9  0.72  1.0

data_LaMg15
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg15
_chemical_formula_sum   'La1 Mg15'
_cell_volume   390.12
_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  0.18  1.0
  Mg  Mg1  1  -0.0  0.92  0.53  1.0
  Mg  Mg2  1  -0.0  0.92  0.83  1.0
  Mg  Mg3  1  -0.0  0.65  0.18  1.0
  Mg  Mg4  1  0.0  0.0  0.0  1.0
  Mg  Mg5  1  0.3  0.9  0.64  1.0
  Mg  Mg6  1  0.3  0.9  0.72  1.0
  Mg  Mg7  1  0.3  0.01  -0.0  1.0
  Mg  Mg8  1  0.37  0.75  0.53  1.0
  Mg  Mg9  1  0.37  0.75  0.83  1.0
  Mg  Mg10  1  0.41  0.89  0.18  1.0
  Mg  Mg11  1  0.59  0.89  0.18  1.0
  Mg  Mg12  1  0.63  0.75  0.53  1.0
  Mg  Mg13  1  0.63  0.75  0.83  1.0
  Mg  Mg14  1  0.66  0.85  -0.0  1.0
  Mg  Mg15  1  0.94  0.85  -0.0  1.0

La Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg
La Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg 0 3 - - o 0 6 o - o 0 1 o o o 1 3 - - o 1 5 - - o 1 7 o o o 1 9 o - - 2 4 o o o 2 6 o o o 2 7 o + o 3 5 o o o 3 6 + o o 3 7 + + o 3 9 + o - 4 5 o o o 5 13 o o - 8 12 - o o 8 14 o o o 9 13 - o o 10 14 o o o 10 12 o o o 11 15 o o o 11 13 o o o 14 15 o o o 