data_[Ba4Cu2As2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  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 [7.0309]
_cell_length_b [4.2442]
_cell_length_c [8.9269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2CuAsO]
_chemical_formula_sum '[Ba4 Cu2 As2 O2]'
_cell_volume [253.2116]
_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  0.2051  0.7500  0.3867  1
  Ba  Ba1  2  0.2220  0.7500  0.9671  1
  Cu  Cu2  2  0.4729  0.2500  0.2486  1
  As  As3  2  0.3409  0.2500  0.7030  1
  O  O4  2  0.1674  0.2500  0.1655  1
]