data_TaAsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.22
_cell_angle_alpha   97.75
_cell_angle_beta   97.75
_cell_angle_gamma   41.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsSe2
_chemical_formula_sum   'Ta1 As1 Se2'
_cell_volume   79.84
_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  0.14  0.0  0.58  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.34  0.0  0.68  1.0
  Se  Se2  1  0.95  0.0  0.49  1.0

data_TaAsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.83
_cell_length_c   5.22
_cell_angle_alpha   97.75
_cell_angle_beta   90.0
_cell_angle_gamma   110.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsSe2
_chemical_formula_sum   'Ta1 As1 Se2'
_cell_volume   79.84
_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  0.86  0.42  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.05  0.51  1.0
  Se  Se3  1  0.0  0.66  0.32  1.0

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