data_[Zr2As2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0999]
_cell_length_b [5.1971]
_cell_length_c [5.5162]
_cell_angle_alpha [81.8796]
_cell_angle_beta [86.8856]
_cell_angle_gamma [83.6101]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZrAsO4]
_chemical_formula_sum '[Zr2 As2 O8]'
_cell_volume [143.7293]
_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
[
  Zr  Zr0  1  0.4706  0.5485  0.2872  1.0
  Zr  Zr1  1  0.5740  0.9775  0.7279  1.0
  As  As2  1  0.0661  0.4739  0.8067  1.0
  As  As3  1  0.9922  0.0025  0.1689  1.0
  O  O4  1  0.1655  0.8210  0.4170  1.0
  O  O5  1  0.2102  0.3009  0.1078  1.0
  O  O6  1  0.2754  0.8231  0.9754  1.0
  O  O7  1  0.3032  0.2959  0.6090  1.0
  O  O8  1  0.6433  0.6568  0.5792  1.0
  O  O9  1  0.7391  0.1717  0.3571  1.0
  O  O10  1  0.7664  0.7652  0.0856  1.0
  O  O11  1  0.8502  0.1929  0.8784  1.0
]