data_Ho3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Mg
_chemical_formula_sum   'Ho6 Mg2'
_cell_volume   232.44
_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
  Ho  Ho0  1  0.0  0.05  0.14  1.0
  Ho  Ho1  1  0.29  0.01  0.14  1.0
  Ho  Ho2  1  0.71  0.01  0.14  1.0
  Ho  Ho3  1  0.77  0.02  0.38  1.0
  Ho  Ho4  1  0.2  0.02  0.38  1.0
  Ho  Ho5  1  0.49  0.99  0.38  1.0
  Mg  Mg6  1  0.49  0.01  0.14  1.0
  Mg  Mg7  1  0.0  0.03  0.38  1.0

data_Ho3Mg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.52
_cell_length_b   6.97
_cell_length_c   6.97
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ho3Mg
_chemical_formula_sum   'Ho6 Mg2'
_cell_volume   232.44
_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
  Ho  Ho0  2  0.12  0.24  0.97  1.0
  Ho  Ho1  2  0.12  0.53  0.01  1.0
  Ho  Ho2  2  0.12  0.96  0.01  1.0
  Mg  Mg3  2  0.12  0.76  0.01  1.0

Ho Ho Ho Ho Ho Ho Mg Mg