data_Ta2BiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BiSe
_chemical_formula_sum   'Ta2 Bi1 Se1'
_cell_volume   77.88
_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  0.4  0.68  1.0
  Ta  Ta3  1  0.4  0.0  0.68  1.0
  Bi  Bi0  1  0.4  0.4  0.0  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   6.8
_cell_length_b   6.8
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2BiSe
_chemical_formula_sum   'Ta4 Bi2 Se2'
_cell_volume   155.76
_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  4  0.2  0.2  0.68  1.0
  Bi  Bi1  2  0.4  0.0  -0.0  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

Ta Ta Bi Se