data_YMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   19.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2
_chemical_formula_sum   'Y8 Mg16'
_cell_volume   624.49
_cell_formula_units_Z   8
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  Y16  1  0.0  0.0  0.81  1.0
  Y  Y17  1  0.0  0.0  0.91  1.0
  Y  Y18  1  0.0  0.0  0.68  1.0
  Y  Y19  1  0.0  0.0  0.05  1.0
  Y  Y20  1  0.02  0.75  0.63  1.0
  Y  Y21  1  0.0  0.49  0.1  1.0
  Y  Y22  1  0.0  0.49  0.77  1.0
  Y  Y23  1  0.02  0.75  0.96  1.0
  Mg  Mg0  1  0.02  0.75  0.48  1.0
  Mg  Mg1  1  0.0  0.49  0.24  1.0
  Mg  Mg2  1  0.0  0.49  0.35  1.0
  Mg  Mg3  1  0.02  0.75  0.38  1.0
  Mg  Mg4  1  0.49  0.62  0.0  1.0
  Mg  Mg5  1  0.51  0.62  0.0  1.0
  Mg  Mg6  1  0.02  0.0  0.0  1.0
  Mg  Mg7  1  0.49  0.62  0.86  1.0
  Mg  Mg8  1  0.51  0.62  0.86  1.0
  Mg  Mg9  1  0.02  0.0  0.86  1.0
  Mg  Mg10  1  0.47  0.85  0.93  1.0
  Mg  Mg11  1  0.58  0.85  0.93  1.0
  Mg  Mg12  1  0.02  0.54  0.93  1.0
  Mg  Mg13  1  0.56  0.39  0.79  1.0
  Mg  Mg14  1  0.44  0.39  0.79  1.0
  Mg  Mg15  1  0.0  0.69  0.79  1.0

data_YMg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   19.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2
_chemical_formula_sum   'Y8 Mg16'
_cell_volume   624.49
_cell_formula_units_Z   8
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  0.0  0.0  0.05  1.0
  Y  Y1  1  0.0  0.0  0.68  1.0
  Y  Y2  1  0.0  0.0  0.81  1.0
  Y  Y3  1  0.0  0.0  0.91  1.0
  Y  Y4  1  0.0  0.49  0.1  1.0
  Y  Y5  1  0.0  0.49  0.77  1.0
  Y  Y6  1  0.02  0.75  0.63  1.0
  Y  Y7  1  0.02  0.75  0.96  1.0
  Mg  Mg8  1  0.0  0.69  0.79  1.0
  Mg  Mg9  1  0.0  0.49  0.24  1.0
  Mg  Mg10  1  0.0  0.49  0.35  1.0
  Mg  Mg11  1  0.02  0.0  -0.0  1.0
  Mg  Mg12  1  0.02  0.0  0.86  1.0
  Mg  Mg13  1  0.02  0.54  0.93  1.0
  Mg  Mg14  1  0.02  0.75  0.38  1.0
  Mg  Mg15  1  0.02  0.75  0.48  1.0
  Mg  Mg16  1  0.44  0.39  0.79  1.0
  Mg  Mg17  1  0.47  0.85  0.93  1.0
  Mg  Mg18  1  0.49  0.62  -0.0  1.0
  Mg  Mg19  1  0.49  0.62  0.86  1.0
  Mg  Mg20  1  0.51  0.62  -0.0  1.0
  Mg  Mg21  1  0.51  0.62  0.86  1.0
  Mg  Mg22  1  0.56  0.39  0.79  1.0
  Mg  Mg23  1  0.58  0.85  0.93  1.0

Y Y Y Y Y Y Y Y Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg