data_BeTlBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.03
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlBi2
_chemical_formula_sum   'Be1 Tl1 Bi2'
_cell_volume   112.0
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.97  0.0  0.3  1.0
  Bi  Bi1  1  0.14  0.01  0.25  1.0
  Bi  Bi2  1  0.02  0.01  0.34  1.0

data_BeTlBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.22
_cell_length_c   6.91
_cell_angle_alpha   107.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlBi2
_chemical_formula_sum   'Be1 Tl1 Bi2'
_cell_volume   112.0
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.03  0.7  1.0
  Bi  Bi2  1  0.99  0.86  0.75  1.0
  Bi  Bi3  1  0.99  0.98  0.66  1.0

Be Tl Bi Bi