data_[Ba4Sc4As4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2/c]
_cell_length_a [7.2724]
_cell_length_b [9.7385]
_cell_length_c [7.5195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaScAsO5]
_chemical_formula_sum '[Ba4 Sc4 As4 O20]'
_cell_volume [491.4114]
_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
[
  Ba  Ba0  4  0.0000  0.3293  0.7500  1.0
  Sc  Sc1  4  0.0000  0.0000  0.0000  1.0
  As  As2  4  0.0000  0.3130  0.2500  1.0
  O  O3  8  0.0953  0.2109  0.1166  1.0
  O  O4  8  0.1783  0.4183  0.4115  1.0
  O  O5  4  0.0000  0.0658  0.7500  1.0
]