data_Be2TlSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   3.64
_cell_angle_alpha   107.4
_cell_angle_beta   107.4
_cell_angle_gamma   101.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TlSe
_chemical_formula_sum   'Be2 Tl1 Se1'
_cell_volume   72.05
_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  0.65  0.14  0.6  1.0
  Be  Be1  1  0.65  0.86  0.6  1.0
  Tl  Tl3  1  0.02  0.0  0.0  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_Be2TlSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   101.97
_cell_angle_beta   107.4
_cell_angle_gamma   107.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TlSe
_chemical_formula_sum   'Be2 Tl1 Se1'
_cell_volume   72.05
_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  0.6  0.65  0.14  1.0
  Be  Be1  1  0.6  0.65  0.86  1.0
  Tl  Tl2  1  0.0  0.02  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Be Be Tl Se