data_Ta2BiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22
_cell_length_b   9.22
_cell_length_c   9.22
_cell_angle_alpha   20.08
_cell_angle_beta   20.08
_cell_angle_gamma   20.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BiSe
_chemical_formula_sum   'Ta2 Bi1 Se1'
_cell_volume   80.8
_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  0.0  0.0  0.04  1.0
  Ta  Ta3  1  0.0  0.0  0.05  1.0
  Bi  Bi0  1  0.0  0.0  0.55  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Ta2BiSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   3.21
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   101.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2BiSe
_chemical_formula_sum   'Ta4 Bi2 Se2'
_cell_volume   161.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.95  1.0
  Ta  Ta1  2  -0.0  0.0  0.96  1.0
  Bi  Bi2  2  -0.0  0.0  0.45  1.0
  Se  Se3  2  -0.0  0.0  0.0  1.0

Ta Ta Bi Se