data_Ta2BiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   130.66
_cell_angle_beta   130.66
_cell_angle_gamma   72.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BiSe
_chemical_formula_sum   'Ta2 Bi1 Se1'
_cell_volume   81.27
_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  0.19  0.0  0.12  1.0
  Ta  Ta3  1  0.0  0.0  0.24  1.0
  Bi  Bi0  1  0.0  0.19  0.12  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Ta2BiSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.25
_cell_angle_alpha   114.67
_cell_angle_beta   114.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BiSe
_chemical_formula_sum   'Ta2 Bi1 Se1'
_cell_volume   81.27
_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  0.12  0.93  0.93  1.0
  Ta  Ta1  1  0.24  0.24  0.24  1.0
  Bi  Bi2  1  0.93  0.12  0.93  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ta Ta Bi Se