data_BeTl2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83
_cell_length_b   7.83
_cell_length_c   7.83
_cell_angle_alpha   153.35
_cell_angle_beta   151.11
_cell_angle_gamma   39.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Sb
_chemical_formula_sum   'Be1 Tl2 Sb1'
_cell_volume   103.72
_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  0.8  0.0  0.57  1.0
  Tl  Tl3  1  0.0  0.95  0.8  1.0
  Sb  Sb1  1  0.0  0.0  0.36  1.0

data_BeTl2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.91
_cell_length_c   7.83
_cell_angle_alpha   104.45
_cell_angle_beta   103.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Sb
_chemical_formula_sum   'Be1 Tl2 Sb1'
_cell_volume   103.72
_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  0.2  0.16  0.16  1.0
  Tl  Tl2  1  0.24  0.43  0.24  1.0
  Sb  Sb3  1  0.64  0.64  0.64  1.0

Be Tl Tl Sb