data_Y2MgTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   33.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgTl
_chemical_formula_sum   'Y2 Mg1 Tl1'
_cell_volume   111.6
_cell_formula_units_Z   1
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  0.0  0.0  0.3  1.0
  Y  Y3  1  0.45  0.0  0.21  1.0
  Mg  Mg0  1  0.0  0.0  0.23  1.0
  Tl  Tl1  1  0.45  0.0  0.98  1.0

data_Y2MgTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.89
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   106.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgTl
_chemical_formula_sum   'Y2 Mg1 Tl1'
_cell_volume   111.6
_cell_formula_units_Z   1
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  0.7  0.0  0.7  1.0
  Y  Y1  1  0.79  0.45  0.79  1.0
  Mg  Mg2  1  0.77  0.0  0.77  1.0
  Tl  Tl3  1  0.02  0.45  0.02  1.0

Y Y Mg Tl