data_[Ba4In4Cu4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9450]
_cell_length_b [6.8607]
_cell_length_c [6.4869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaInCuO3]
_chemical_formula_sum '[Ba4 In4 Cu4 O12]'
_cell_volume [403.6473]
_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  0.1958  0.5000  0.1326  1
  In  In1  4  0.0899  0.0000  0.2801  1
  Cu  Cu2  4  0.0000  0.2871  0.5000  1
  O  O3  8  0.0587  0.2338  0.8193  1
  O  O4  4  0.1892  0.5000  0.5540  1
]