data_TaBe2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   150.08
_cell_angle_beta   122.3
_cell_angle_gamma   66.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Cd
_chemical_formula_sum   'Ta1 Be2 Cd1'
_cell_volume   61.48
_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
  Ta  Ta3  1  0.0  0.0  0.42  1.0
  Be  Be0  1  0.36  0.0  0.2  1.0
  Be  Be1  1  0.0  0.55  0.22  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0

data_TaBe2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.1
_cell_length_c   5.28
_cell_angle_alpha   118.85
_cell_angle_beta   104.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Cd
_chemical_formula_sum   'Ta1 Be2 Cd1'
_cell_volume   61.48
_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
  Ta  Ta0  1  0.58  0.58  0.58  1.0
  Be  Be1  1  0.17  0.8  0.17  1.0
  Be  Be2  1  0.78  0.33  0.33  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

Ta Be Be Cd
Ta Be Be Cd 0 2 o - o 1 3 o o o 2 3 o o o 