data_BeTl2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   3.4
_cell_angle_alpha   90.89
_cell_angle_beta   90.89
_cell_angle_gamma   114.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Te
_chemical_formula_sum   'Be1 Tl2 Te1'
_cell_volume   110.73
_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  Tl2  1  0.57  0.52  0.7  1.0
  Tl  Tl3  1  0.57  0.48  0.7  1.0
  Te  Te1  1  0.23  0.0  0.0  1.0

data_BeTl2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   114.74
_cell_angle_beta   90.89
_cell_angle_gamma   90.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Te
_chemical_formula_sum   'Be1 Tl2 Te1'
_cell_volume   110.73
_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  0.7  0.57  0.48  1.0
  Tl  Tl2  1  0.7  0.57  0.52  1.0
  Te  Te3  1  0.0  0.23  0.0  1.0

Be Tl Tl Te