data_YMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   133.53
_cell_angle_beta   133.53
_cell_angle_gamma   67.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg
_chemical_formula_sum   'Y2 Mg2'
_cell_volume   111.05
_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  Y2  1  0.36  0.0  0.49  1.0
  Y  Y3  1  0.0  0.0  0.97  1.0
  Mg  Mg0  1  0.0  0.36  0.49  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0

data_YMg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.99
_cell_angle_alpha   113.24
_cell_angle_beta   113.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg
_chemical_formula_sum   'Y2 Mg2'
_cell_volume   111.05
_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  0.03  0.0  0.03  1.0
  Y  Y1  1  0.51  0.0  0.88  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Mg  Mg3  1  0.88  0.36  0.88  1.0

Y Y Mg Mg