data_Ta2FeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeCl
_chemical_formula_sum   'Ta2 Fe1 Cl1'
_cell_volume   67.97
_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  0.0  0.0  0.12  1.0
  Ta  Ta3  1  0.61  0.0  0.41  1.0
  Fe  Fe1  1  0.61  0.0  0.06  1.0
  Cl  Cl0  1  0.0  0.0  0.36  1.0

data_Ta2FeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeCl
_chemical_formula_sum   'Ta2 Fe1 Cl1'
_cell_volume   67.97
_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  0.0  0.12  1.0
  Ta  Ta1  1  0.61  0.0  0.41  1.0
  Fe  Fe2  1  0.61  0.0  0.06  1.0
  Cl  Cl3  1  0.0  0.0  0.36  1.0

Ta Ta Fe Cl
Ta Ta Fe Cl 0 2 - o o 1 3 + o o 