data_MgTl2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   5.84
_cell_angle_alpha   106.83
_cell_angle_beta   106.83
_cell_angle_gamma   32.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2Bi
_chemical_formula_sum   'Mg1 Tl2 Bi1'
_cell_volume   115.51
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.33  0.0  0.33  1.0
  Tl  Tl3  1  0.76  0.0  0.24  1.0
  Bi  Bi0  1  0.04  0.0  0.79  1.0

data_MgTl2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.84
_cell_length_c   6.18
_cell_angle_alpha   106.83
_cell_angle_beta   106.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2Bi
_chemical_formula_sum   'Mg1 Tl2 Bi1'
_cell_volume   115.51
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.24  0.76  1.0
  Tl  Tl2  1  0.0  0.33  0.33  1.0
  Bi  Bi3  1  0.0  0.79  0.04  1.0

Mg Tl Tl Bi
Mg Tl Tl Bi 0 3 o o - 0 1 o o o 0 2 - o o 1 2 o o o 