data_BeTl2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.98
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Te
_chemical_formula_sum   'Be1 Tl2 Te1'
_cell_volume   105.31
_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  0.67  0.99  0.24  1.0
  Tl  Tl3  1  0.67  0.99  0.67  1.0
  Te  Te1  1  0.0  0.0  0.96  1.0

data_BeTl2Te
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.35
_cell_length_b   3.98
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeTl2Te
_chemical_formula_sum   'Be1 Tl2 Te1'
_cell_volume   105.31
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.67  0.0  0.24  1.0
  Tl  Tl2  1  0.67  0.0  0.67  1.0
  Te  Te3  1  0.0  0.0  0.96  1.0

Be Tl Tl Te
Be Tl Tl Te 0 3 o o - 0 1 - - o 0 2 - - - 1 3 + + - 2 3 o + o 2 3 + + o 