data_MgTlBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   141.02
_cell_angle_beta   129.03
_cell_angle_gamma   65.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlBi2
_chemical_formula_sum   'Mg1 Tl1 Bi2'
_cell_volume   118.77
_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  Mg2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.26  1.0
  Bi  Bi0  1  0.0  0.7  0.77  1.0
  Bi  Bi1  1  0.09  0.0  0.49  1.0

data_MgTlBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   5.4
_cell_length_c   6.27
_cell_angle_alpha   115.48
_cell_angle_beta   109.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlBi2
_chemical_formula_sum   'Mg1 Tl1 Bi2'
_cell_volume   118.77
_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  0.74  0.74  0.74  1.0
  Bi  Bi2  1  0.23  0.92  0.92  1.0
  Bi  Bi3  1  0.61  0.51  0.61  1.0

Mg Tl Bi Bi