data_ZrTlBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   141.64
_cell_angle_beta   141.64
_cell_angle_gamma   55.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlBi
_chemical_formula_sum   'Zr1 Tl1 Bi1'
_cell_volume   77.51
_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
  Zr  Zr2  1  0.0  0.0  0.86  1.0
  Tl  Tl1  1  0.0  0.0  0.39  1.0
  Bi  Bi0  1  0.0  0.0  0.15  1.0

data_ZrTlBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   117.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrTlBi
_chemical_formula_sum   'Zr2 Tl2 Bi2'
_cell_volume   155.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.0  0.0  0.14  1.0
  Tl  Tl1  2  0.0  0.0  0.61  1.0
  Bi  Bi2  2  0.0  0.0  0.85  1.0

Zr Tl Bi
Zr Tl Bi 0 2 o o + 1 2 o o o 