data_Ho2Mg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   88.1
_cell_angle_beta   88.1
_cell_angle_gamma   88.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Mg3
_chemical_formula_sum   'Ho4 Mg6'
_cell_volume   287.17
_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  0.0  0.43  1.0
  Ho  Ho1  1  0.0  0.0  0.47  1.0
  Ho  Ho2  1  0.0  0.0  0.34  1.0
  Ho  Ho3  1  0.0  0.0  0.37  1.0
  Mg  Mg4  1  0.87  0.89  0.92  1.0
  Mg  Mg5  1  0.66  0.35  0.92  1.0
  Mg  Mg6  1  0.46  0.76  0.92  1.0
  Mg  Mg7  1  0.54  0.24  0.89  1.0
  Mg  Mg8  1  0.34  0.65  0.89  1.0
  Mg  Mg9  1  0.13  0.11  0.89  1.0

data_Ho2Mg3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   88.1
_cell_angle_beta   88.1
_cell_angle_gamma   88.1
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ho2Mg3
_chemical_formula_sum   'Ho4 Mg6'
_cell_volume   287.17
_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  0.0  0.0  0.43  1.0
  Ho  Ho1  2  0.0  0.0  0.47  1.0
  Mg  Mg2  2  0.11  0.13  0.98  1.0
  Mg  Mg3  2  0.24  0.54  0.98  1.0
  Mg  Mg4  2  0.35  0.66  0.02  1.0

Ho Ho Ho Ho Mg Mg Mg Mg Mg Mg