data_Ti2CoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.47
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   104.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CoCl
_chemical_formula_sum   'Ti2 Co1 Cl1'
_cell_volume   58.3
_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
  Ti  Ti2  1  0.06  0.0  0.99  1.0
  Ti  Ti3  1  0.67  0.23  0.66  1.0
  Co  Co1  1  0.11  0.23  0.83  1.0
  Cl  Cl0  1  0.54  0.0  0.88  1.0

data_Ti2CoCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.47
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   104.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CoCl
_chemical_formula_sum   'Ti2 Co1 Cl1'
_cell_volume   58.3
_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
  Ti  Ti0  1  0.06  0.0  0.99  1.0
  Ti  Ti1  1  0.67  0.23  0.66  1.0
  Co  Co2  1  0.11  0.23  0.83  1.0
  Cl  Cl3  1  0.54  0.0  0.88  1.0

Ti Ti Co Cl