data_BeTlSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   4.58
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   95.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlSb2
_chemical_formula_sum   'Be1 Tl1 Sb2'
_cell_volume   117.16
_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  0.34  0.0  0.42  1.0
  Tl  Tl3  1  0.22  0.29  0.62  1.0
  Sb  Sb1  1  0.59  0.29  0.61  1.0
  Sb  Sb2  1  0.97  0.0  0.97  1.0

data_BeTlSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.58
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   95.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlSb2
_chemical_formula_sum   'Be1 Tl1 Sb2'
_cell_volume   117.16
_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  0.34  0.0  0.42  1.0
  Tl  Tl1  1  0.22  0.29  0.62  1.0
  Sb  Sb2  1  0.59  0.29  0.61  1.0
  Sb  Sb3  1  0.97  0.0  0.97  1.0

Be Tl Sb Sb