data_[Zr4In4Cu4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [Pnma]
_cell_length_a [10.3484]
_cell_length_b [3.2688]
_cell_length_c [10.0520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ZrInCuO3]
_chemical_formula_sum '[Zr4 In4 Cu4 O12]'
_cell_volume [340.0285]
_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
[
  Zr  Zr0  4  0.0313  0.7500  0.6483  1
  In  In1  4  0.1503  0.7500  0.0612  1
  Cu  Cu2  4  0.2282  0.2500  0.8740  1
  O  O3  4  0.0806  0.7500  0.4328  1
  O  O4  4  0.0826  0.2500  0.1908  1
  O  O5  4  0.1581  0.2500  0.6882  1
]