data_Ta2CdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   4.84
_cell_angle_alpha   105.73
_cell_angle_beta   105.73
_cell_angle_gamma   33.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdSe
_chemical_formula_sum   'Ta2 Cd1 Se1'
_cell_volume   74.5
_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  0.18  0.0  0.22  1.0
  Ta  Ta3  1  0.53  0.0  0.34  1.0
  Cd  Cd0  1  0.32  0.0  0.47  1.0
  Se  Se1  1  0.27  0.0  0.93  1.0

data_Ta2CdSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.84
_cell_length_c   5.36
_cell_angle_alpha   105.73
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdSe
_chemical_formula_sum   'Ta2 Cd1 Se1'
_cell_volume   74.5
_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  0.0  0.22  0.18  1.0
  Ta  Ta1  1  0.0  0.34  0.53  1.0
  Cd  Cd2  1  0.0  0.47  0.32  1.0
  Se  Se3  1  0.0  0.93  0.27  1.0

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