data_HoMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoMg3
_chemical_formula_sum   'Ho2 Mg6'
_cell_volume   198.53
_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  0.33  0.92  0.88  1.0
  Ho  Ho1  1  0.0  0.84  0.29  1.0
  Mg  Mg2  1  0.0  0.89  0.88  1.0
  Mg  Mg3  1  0.3  0.82  0.88  1.0
  Mg  Mg4  1  0.7  0.82  0.88  1.0
  Mg  Mg5  1  0.63  0.94  0.29  1.0
  Mg  Mg6  1  0.02  0.94  0.29  1.0
  Mg  Mg7  1  0.33  0.88  0.29  1.0

data_HoMg3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.17
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HoMg3
_chemical_formula_sum   'Ho2 Mg6'
_cell_volume   198.53
_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  0.21  0.84  0.46  1.0
  Mg  Mg1  2  0.21  0.16  0.5  1.0
  Mg  Mg2  2  0.21  0.47  0.56  1.0
  Mg  Mg3  2  0.21  0.86  0.56  1.0

Ho Ho Mg Mg Mg Mg Mg Mg