data_Be2TlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   6.88
_cell_angle_alpha   119.69
_cell_angle_beta   119.69
_cell_angle_gamma   39.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TlCd
_chemical_formula_sum   'Be2 Tl1 Cd1'
_cell_volume   77.67
_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  0.81  0.0  0.09  1.0
  Be  Be1  1  0.2  0.0  0.76  1.0
  Tl  Tl3  1  0.51  0.0  0.92  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0

data_Be2TlCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.58
_cell_length_c   6.09
_cell_angle_alpha   78.86
_cell_angle_beta   75.36
_cell_angle_gamma   70.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TlCd
_chemical_formula_sum   'Be2 Tl1 Cd1'
_cell_volume   77.67
_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  0.44  0.76  1.0
  Be  Be1  1  0.0  0.72  0.09  1.0
  Tl  Tl2  1  0.0  0.58  0.92  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

Be Be Tl Cd