data_Ta2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   5.26
_cell_angle_alpha   103.33
_cell_angle_beta   103.33
_cell_angle_gamma   39.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SbSe
_chemical_formula_sum   'Ta2 Sb1 Se1'
_cell_volume   79.62
_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  0.95  0.0  0.24  1.0
  Ta  Ta3  1  0.42  0.0  0.88  1.0
  Sb  Sb0  1  0.03  0.0  0.77  1.0
  Se  Se1  1  0.69  0.0  0.76  1.0

data_Ta2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.96
_cell_length_c   5.26
_cell_angle_alpha   103.33
_cell_angle_beta   90.0
_cell_angle_gamma   109.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SbSe
_chemical_formula_sum   'Ta2 Sb1 Se1'
_cell_volume   79.62
_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  0.05  0.76  1.0
  Ta  Ta1  1  0.0  0.58  0.12  1.0
  Sb  Sb2  1  0.0  0.97  0.23  1.0
  Se  Se3  1  0.0  0.31  0.24  1.0

Ta Ta Sb Se
Ta Ta Sb Se 0 3 o o - 0 1 o o - 0 2 + o - 0 2 + o o 1 2 o o o 1 3 o o o 2 3 - o o 