data_Ta2BeCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.99
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BeCd
_chemical_formula_sum   'Ta2 Be1 Cd1'
_cell_volume   66.28
_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  Ta2  1  0.43  1.0  0.45  1.0
  Ta  Ta3  1  0.43  1.0  0.34  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.89  1.0

data_Ta2BeCd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.87
_cell_length_b   3.99
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta2BeCd
_chemical_formula_sum   'Ta2 Be1 Cd1'
_cell_volume   66.28
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.43  0.0  0.34  1.0
  Ta  Ta1  1  0.43  0.0  0.45  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.0  0.0  0.89  1.0

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