data_TaCrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.63
_cell_angle_alpha   94.42
_cell_angle_beta   94.42
_cell_angle_gamma   31.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrCl2
_chemical_formula_sum   'Ta1 Cr1 Cl2'
_cell_volume   95.0
_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  0.64  0.0  0.51  1.0
  Cr  Cr2  1  0.23  0.0  0.25  1.0
  Cl  Cl0  1  0.79  0.0  0.14  1.0
  Cl  Cl1  1  0.61  0.0  0.12  1.0

data_TaCrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.63
_cell_length_c   5.68
_cell_angle_alpha   94.42
_cell_angle_beta   105.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrCl2
_chemical_formula_sum   'Ta1 Cr1 Cl2'
_cell_volume   95.0
_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  0.51  0.64  1.0
  Cr  Cr1  1  0.0  0.25  0.23  1.0
  Cl  Cl2  1  0.0  0.12  0.61  1.0
  Cl  Cl3  1  0.0  0.14  0.79  1.0

Ta Cr Cl Cl