data_YMgTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58
_cell_length_b   7.58
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgTl
_chemical_formula_sum   'Y3 Mg3 Tl3'
_cell_volume   232.54
_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  0.63  0.83  0.0  1.0
  Y  Y1  1  0.31  0.0  0.0  1.0
  Y  Y2  1  0.84  0.73  0.0  1.0
  Mg  Mg3  1  0.08  0.59  0.34  1.0
  Mg  Mg4  1  0.87  0.97  0.34  1.0
  Mg  Mg5  1  0.84  0.0  0.34  1.0
  Tl  Tl6  1  0.79  0.19  0.34  1.0
  Tl  Tl7  1  0.0  0.0  0.0  1.0
  Tl  Tl8  1  0.0  0.37  0.34  1.0

data_YMgTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.68
_cell_length_b   7.58
_cell_length_c   7.58
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgTl
_chemical_formula_sum   'Y3 Mg3 Tl3'
_cell_volume   232.54
_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  0.31  0.0  1.0
  Y  Y1  1  0.0  0.63  0.83  1.0
  Y  Y2  1  0.0  0.84  0.73  1.0
  Mg  Mg3  1  0.34  0.08  0.59  1.0
  Mg  Mg4  1  0.34  0.84  0.0  1.0
  Mg  Mg5  1  0.34  0.87  0.97  1.0
  Tl  Tl6  1  0.0  0.0  0.0  1.0
  Tl  Tl7  1  0.34  0.0  0.37  1.0
  Tl  Tl8  1  0.34  0.79  0.19  1.0

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