data_Ta2FeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   130.38
_cell_angle_beta   116.06
_cell_angle_gamma   85.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeCl
_chemical_formula_sum   'Ta2 Fe1 Cl1'
_cell_volume   62.99
_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  0.92  0.0  0.78  1.0
  Ta  Ta3  1  0.0  0.43  0.6  1.0
  Fe  Fe1  1  0.0  0.0  0.38  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ta2FeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   63.94
_cell_angle_beta   65.19
_cell_angle_gamma   65.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeCl
_chemical_formula_sum   'Ta2 Fe1 Cl1'
_cell_volume   62.99
_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  0.08  0.78  1.0
  Ta  Ta1  1  0.43  -0.0  0.17  1.0
  Fe  Fe2  1  0.0  0.0  0.38  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ta Ta Fe Cl