data_Ta2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   3.0
_cell_angle_alpha   101.44
_cell_angle_beta   101.44
_cell_angle_gamma   111.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TeCl
_chemical_formula_sum   'Ta2 Te1 Cl1'
_cell_volume   80.88
_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  Ta1  1  0.57  0.29  0.0  1.0
  Ta  Ta2  1  0.57  0.71  0.0  1.0
  Te  Te3  1  0.14  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ta2TeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   111.15
_cell_angle_beta   101.44
_cell_angle_gamma   101.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TeCl
_chemical_formula_sum   'Ta2 Te1 Cl1'
_cell_volume   80.88
_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  0.57  0.71  1.0
  Ta  Ta1  1  0.0  0.57  0.29  1.0
  Te  Te2  1  0.0  0.14  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ta Ta Te Cl