data_YMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28
_cell_length_b   9.28
_cell_length_c   3.2
_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   'Y3 Mg6'
_cell_volume   238.55
_cell_formula_units_Z   3
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  Y6  1  0.0  0.0  0.0  1.0
  Y  Y7  1  0.0  0.36  0.6  1.0
  Y  Y8  1  0.64  0.68  0.6  1.0
  Mg  Mg0  1  0.9  0.0  0.6  1.0
  Mg  Mg1  1  0.55  0.51  0.6  1.0
  Mg  Mg2  1  0.19  0.53  0.6  1.0
  Mg  Mg3  1  0.95  0.0  0.0  1.0
  Mg  Mg4  1  0.03  0.15  0.0  1.0
  Mg  Mg5  1  0.67  0.89  0.0  1.0

data_YMg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   9.28
_cell_length_c   9.28
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2
_chemical_formula_sum   'Y3 Mg6'
_cell_volume   238.55
_cell_formula_units_Z   3
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  0.0  1.0
  Y  Y1  1  0.6  0.0  0.36  1.0
  Y  Y2  1  0.6  0.64  0.68  1.0
  Mg  Mg3  1  0.0  0.03  0.15  1.0
  Mg  Mg4  1  0.0  0.95  0.0  1.0
  Mg  Mg5  1  0.0  0.67  0.89  1.0
  Mg  Mg6  1  0.6  0.19  0.53  1.0
  Mg  Mg7  1  0.6  0.55  0.51  1.0
  Mg  Mg8  1  0.6  0.9  0.0  1.0

Y Y Y Mg Mg Mg Mg Mg Mg
Y Y Y Mg Mg Mg Mg Mg Mg 0 6 - o o 0 3 - o - 0 7 o o o 0 8 - - o 1 5 o o o 2 4 o o o 2 8 o o + 2 8 o o o 3 6 o o + 3 8 o - + 3 8 o - o 6 7 + o o 6 8 o - o 