data_TaCoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   3.05
_cell_angle_alpha   104.24
_cell_angle_beta   104.24
_cell_angle_gamma   110.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoCl2
_chemical_formula_sum   'Ta1 Co1 Cl2'
_cell_volume   63.65
_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  0.83  0.0  0.0  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.41  0.95  0.0  1.0
  Cl  Cl1  1  0.41  0.05  0.0  1.0

data_TaCoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   110.86
_cell_angle_beta   104.24
_cell_angle_gamma   104.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoCl2
_chemical_formula_sum   'Ta1 Co1 Cl2'
_cell_volume   63.65
_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  0.83  0.0  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  -0.0  0.41  0.05  1.0
  Cl  Cl3  1  0.0  0.41  0.95  1.0

Ta Co Cl Cl
Ta Co Cl Cl 0 1 + o o 2 3 o + o 