data_[Ba2Sc4As2O4]
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 [P2_1/m]
_cell_length_a [7.5601]
_cell_length_b [6.0475]
_cell_length_c [7.5729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSc2AsO2]
_chemical_formula_sum '[Ba2 Sc4 As2 O4]'
_cell_volume [320.2391]
_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  2  0.3187  0.2500  0.7454  1
  Sc  Sc1  4  0.1170  0.0027  0.2247  1
  As  As2  2  0.2121  0.7500  0.9624  1
  O  O3  2  0.0601  0.7500  0.3576  1
  O  O4  2  0.2653  0.2500  0.3861  1
]