data_TaInSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInSe2
_chemical_formula_sum   'Ta1 In1 Se2'
_cell_volume   78.7
_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  0.43  0.43  0.0  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.43  0.66  1.0
  Se  Se2  1  0.43  0.0  0.66  1.0

data_TaInSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaInSe2
_chemical_formula_sum   'Ta2 In2 Se4'
_cell_volume   157.4
_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  2  0.43  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Se  Se2  4  0.22  0.22  0.66  1.0

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