data_[Ba6Sc4Cr4As4O10]
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
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2234]
_cell_length_b [4.2234]
_cell_length_c [28.6362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3Sc2Cr2As2O5]
_chemical_formula_sum '[Ba6 Sc4 Cr4 As4 O10]'
_cell_volume [510.7901]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.3626  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  Sc  Sc2  4  0.0000  0.0000  0.0694  1
  Cr  Cr3  4  0.0000  0.5000  0.2500  1
  As  As4  4  0.0000  0.0000  0.1967  1
  O  O5  8  0.0000  0.5000  0.0784  1
  O  O6  2  0.0000  0.0000  0.0000  1
]