data_[Y4Zr3O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4476]
_cell_length_b [6.4486]
_cell_length_c [6.4577]
_cell_angle_alpha [98.7711]
_cell_angle_beta [99.2932]
_cell_angle_gamma [99.6601]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Y4Zr3O12]
_chemical_formula_sum '[Y4 Zr3 O12]'
_cell_volume [256.7278]
_cell_formula_units_Z [1]
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
[
  Y  Y0  1  0.3034  0.6096  0.1394  1.0
  Y  Y1  1  0.3931  0.8614  0.6927  1.0
  Y  Y2  1  0.6940  0.3901  0.8625  1.0
  Y  Y3  1  0.8607  0.6890  0.3934  1.0
  Zr  Zr4  1  0.0040  0.0029  0.0003  1.0
  Zr  Zr5  1  0.1417  0.3089  0.6105  1.0
  Zr  Zr6  1  0.6148  0.1384  0.3042  1.0
  O  O7  1  0.0570  0.9298  0.6859  1.0
  O  O8  1  0.0743  0.3153  0.9243  1.0
  O  O9  1  0.1784  0.5649  0.4370  1.0
  O  O10  1  0.3214  0.9627  0.0928  1.0
  O  O11  1  0.4074  0.5595  0.8177  1.0
  O  O12  1  0.4168  0.1832  0.5596  1.0
  O  O13  1  0.5750  0.8366  0.4140  1.0
  O  O14  1  0.5801  0.4183  0.1876  1.0
  O  O15  1  0.6826  0.0550  0.9400  1.0
  O  O16  1  0.8229  0.3929  0.5627  1.0
  O  O17  1  0.9269  0.6882  0.0563  1.0
  O  O18  1  0.9458  0.0934  0.3191  1.0
]