[CIF]
data_Sc4TiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96831520
_cell_length_b   5.96831520
_cell_length_c   5.96831520
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4TiCl
_chemical_formula_sum   'Sc4 Ti1 Cl1'
_cell_volume   150.32813013
_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
  Cl  Cl0  1  0.00000000  0.00000000  0.00000000  1
  Sc  Sc1  1  5.24798885  5.24798885  3.19248345  1
  Sc  Sc2  1  5.24798885  3.19248345  5.24798885  1
  Sc  Sc3  1  3.19248345  5.24798885  5.24798885  1
  Sc  Sc4  1  3.19248345  3.19248345  3.19248345  1
  Ti  Ti5  1  6.33035422  6.33035422  6.33035423  1
[/CIF]
