data_[Na4Sc4Cl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2428]
_cell_length_b [7.9170]
_cell_length_c [6.5862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Sc2Cl7]
_chemical_formula_sum '[Na4 Sc4 Cl14]'
_cell_volume [585.9630]
_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
[
  Na  Na0  4  0.0000  0.2783  0.5000  1
  Sc  Sc1  4  0.2358  0.0000  0.9611  1
  Cl  Cl2  8  0.1998  0.2812  0.7615  1
  Cl  Cl3  4  0.0799  0.5000  0.2281  1
  Cl  Cl4  2  0.0000  0.0000  0.0000  1
]