data_[Sc2Ti2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [15.8265]
_cell_length_b [3.4071]
_cell_length_c [19.1355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ScTiCl5]
_chemical_formula_sum '[Sc2 Ti2 Cl10]'
_cell_volume [1031.8318]
_cell_formula_units_Z [2]
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
[
  Sc  Sc0  2  0.2500  0.5000  0.9865  1
  Ti  Ti1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  4  0.0452  0.5000  0.9160  1
  Cl  Cl3  4  0.1497  0.0000  0.0501  1
  Cl  Cl4  2  0.2500  0.0000  0.8919  1
]