data_Y3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Mg
_chemical_formula_sum   'Y6 Mg2'
_cell_volume   241.09
_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
  Y  Y0  1  0.72  0.06  0.22  1.0
  Y  Y1  1  0.0  0.07  0.22  1.0
  Y  Y2  1  0.28  0.06  0.22  1.0
  Y  Y3  1  0.52  0.02  0.41  1.0
  Y  Y4  1  0.24  0.04  0.41  1.0
  Y  Y5  1  0.79  0.04  0.41  1.0
  Mg  Mg6  1  0.52  0.03  0.22  1.0
  Mg  Mg7  1  0.0  0.06  0.41  1.0

data_Y3Mg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.62
_cell_length_b   7.04
_cell_length_c   7.04
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Y3Mg
_chemical_formula_sum   'Y6 Mg2'
_cell_volume   241.09
_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
  Y  Y0  2  0.09  0.26  0.98  1.0
  Y  Y1  2  0.09  0.54  0.99  1.0
  Y  Y2  2  0.09  0.98  0.99  1.0
  Mg  Mg3  2  0.09  0.74  0.02  1.0

Y Y Y Y Y Y Mg Mg