data_Ta2SeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   5.33
_cell_angle_alpha   109.3
_cell_angle_beta   109.3
_cell_angle_gamma   37.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SeCl
_chemical_formula_sum   'Ta2 Se1 Cl1'
_cell_volume   75.44
_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  0.66  0.0  0.51  1.0
  Ta  Ta3  1  0.7  0.0  0.21  1.0
  Se  Se1  1  0.9  0.0  0.26  1.0
  Cl  Cl0  1  0.52  0.0  0.51  1.0

data_Ta2SeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.96
_cell_length_c   5.33
_cell_angle_alpha   109.3
_cell_angle_beta   90.0
_cell_angle_gamma   108.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SeCl
_chemical_formula_sum   'Ta2 Se1 Cl1'
_cell_volume   75.44
_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  0.3  0.79  1.0
  Ta  Ta1  1  0.0  0.34  0.49  1.0
  Se  Se2  1  0.0  0.1  0.74  1.0
  Cl  Cl3  1  0.0  0.48  0.49  1.0

Ta Ta Se Cl