data_HoMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoMg2
_chemical_formula_sum   'Ho4 Mg8'
_cell_volume   307.94
_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
  Ho  Ho0  1  0.02  0.74  0.62  1.0
  Ho  Ho1  1  0.02  0.74  0.27  1.0
  Ho  Ho2  1  0.0  0.48  0.5  1.0
  Ho  Ho3  1  0.0  0.48  0.15  1.0
  Mg  Mg4  1  0.0  0.0  0.0  1.0
  Mg  Mg5  1  0.0  0.78  0.44  1.0
  Mg  Mg6  1  0.53  0.33  0.44  1.0
  Mg  Mg7  1  0.47  0.33  0.44  1.0
  Mg  Mg8  1  0.0  0.0  0.88  1.0
  Mg  Mg9  1  0.54  0.89  0.33  1.0
  Mg  Mg10  1  0.49  0.89  0.33  1.0
  Mg  Mg11  1  0.02  0.44  0.33  1.0

data_HoMg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoMg2
_chemical_formula_sum   'Ho4 Mg8'
_cell_volume   307.94
_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
  Ho  Ho0  1  0.0  0.48  0.15  1.0
  Ho  Ho1  1  0.0  0.48  0.5  1.0
  Ho  Ho2  1  0.02  0.74  0.27  1.0
  Ho  Ho3  1  0.02  0.74  0.62  1.0
  Mg  Mg4  1  0.0  0.0  0.0  1.0
  Mg  Mg5  1  0.0  0.0  0.88  1.0
  Mg  Mg6  1  0.0  0.78  0.44  1.0
  Mg  Mg7  1  0.02  0.44  0.33  1.0
  Mg  Mg8  1  0.47  0.33  0.44  1.0
  Mg  Mg9  1  0.49  0.89  0.33  1.0
  Mg  Mg10  1  0.53  0.33  0.44  1.0
  Mg  Mg11  1  0.54  0.89  0.33  1.0

Ho Ho Ho Ho Mg Mg Mg Mg Mg Mg Mg Mg
Ho Ho Ho Ho Mg Mg Mg Mg Mg Mg Mg Mg 0 5 o o o 0 2 o o o 1 5 o o o 1 3 o o o 1 11 o o o 2 5 o o o 2 11 o o o 3 11 o o o 4 8 o o - 6 7 o o o 9 10 o o o 