data_[Sc16As4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [5.9151]
_cell_length_b [9.3835]
_cell_length_c [9.1230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Sc4AsO2]
_chemical_formula_sum '[Sc16 As4 O8]'
_cell_volume [506.3644]
_cell_formula_units_Z [4]
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  8  0.2257  0.0817  0.0000  1.0
  Sc  Sc1  8  0.2500  0.2500  0.3330  1.0
  As  As2  4  0.0000  0.5000  0.2500  1.0
  O  O3  8  0.1182  0.1272  0.5000  1.0
]