data_TaAsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   6.84
_cell_angle_alpha   151.4
_cell_angle_beta   142.91
_cell_angle_gamma   47.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsSe2
_chemical_formula_sum   'Ta1 As1 Se2'
_cell_volume   92.04
_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  0.26  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.69  0.0  0.21  1.0
  Se  Se2  1  0.0  0.18  0.05  1.0

data_TaAsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.35
_cell_length_c   6.84
_cell_angle_alpha   108.54
_cell_angle_beta   104.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsSe2
_chemical_formula_sum   'Ta1 As1 Se2'
_cell_volume   92.04
_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  0.26  0.26  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.21  0.52  1.0
  Se  Se3  1  0.82  0.87  0.87  1.0

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