data_[Sc8Be2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.5328]
_cell_length_b [19.3632]
_cell_length_c [7.6173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc4BeCl5]
_chemical_formula_sum '[Sc8 Be2 Cl10]'
_cell_volume [521.0714]
_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  4  0.0000  0.0000  0.2299  1
  Sc  Sc1  4  0.0000  0.3780  0.0000  1
  Be  Be2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  8  0.0000  0.1448  0.2351  1
  Cl  Cl4  2  0.0000  0.5000  0.5000  1
]