data_TaSiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   144.71
_cell_angle_beta   121.72
_cell_angle_gamma   70.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiSe2
_chemical_formula_sum   'Ta1 Si1 Se2'
_cell_volume   73.89
_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  Ta3  1  0.0  0.0  0.38  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Se  Se0  1  0.62  0.0  0.38  1.0
  Se  Se1  1  0.0  0.6  1.0  1.0

data_TaSiSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.21
_cell_length_c   5.35
_cell_angle_alpha   119.14
_cell_angle_beta   107.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiSe2
_chemical_formula_sum   'Ta1 Si1 Se2'
_cell_volume   73.89
_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  0.62  0.62  0.62  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.6  0.6  1.0
  Se  Se3  1  0.24  0.62  0.24  1.0

Ta Si Se Se