data_Ta2CdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   32.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdSe
_chemical_formula_sum   'Ta2 Cd1 Se1'
_cell_volume   78.69
_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  0.4  0.0  0.46  1.0
  Ta  Ta3  1  0.0  0.0  0.45  1.0
  Cd  Cd0  1  0.4  0.0  0.58  1.0
  Se  Se1  1  0.0  0.0  0.65  1.0

data_Ta2CdSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.79
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   106.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdSe
_chemical_formula_sum   'Ta2 Cd1 Se1'
_cell_volume   78.69
_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  0.54  0.4  0.54  1.0
  Ta  Ta1  1  0.55  0.0  0.55  1.0
  Cd  Cd2  1  0.42  0.4  0.42  1.0
  Se  Se3  1  0.35  0.0  0.35  1.0

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