data_Be2TlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   5.37
_cell_angle_alpha   100.28
_cell_angle_beta   100.28
_cell_angle_gamma   58.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TlZn
_chemical_formula_sum   'Be2 Tl1 Zn1'
_cell_volume   70.42
_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  0.1  0.0  0.01  1.0
  Be  Be1  1  0.34  0.0  0.18  1.0
  Tl  Tl2  1  0.57  0.0  0.59  1.0
  Zn  Zn3  1  0.72  0.0  0.09  1.0

data_Be2TlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.97
_cell_length_c   5.37
_cell_angle_alpha   100.28
_cell_angle_beta   90.0
_cell_angle_gamma   119.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TlZn
_chemical_formula_sum   'Be2 Tl1 Zn1'
_cell_volume   70.42
_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  0.66  0.82  1.0
  Be  Be1  1  0.0  0.9  0.99  1.0
  Tl  Tl2  1  0.0  0.43  0.41  1.0
  Zn  Zn3  1  0.0  0.28  0.91  1.0

Be Be Tl Zn