data_[Zr4As4O16]
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 [Cm]
_cell_length_a [8.8544]
_cell_length_b [6.7605]
_cell_length_c [6.6341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrAsO4]
_chemical_formula_sum '[Zr4 As4 O16]'
_cell_volume [374.5428]
_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  2  0.2151  0.0000  0.0805  1.0
  Zr  Zr1  2  0.2496  0.5000  0.8899  1.0
  As  As2  2  0.1682  0.5000  0.3122  1.0
  As  As3  2  0.3040  0.0000  0.6544  1.0
  O  O4  4  0.2224  0.3184  0.1401  1.0
  O  O5  4  0.2441  0.1871  0.7915  1.0
  O  O6  2  0.0020  0.5000  0.6873  1.0
  O  O7  2  0.1891  0.0000  0.3923  1.0
  O  O8  2  0.4623  0.0000  0.1930  1.0
  O  O9  2  0.4773  0.5000  0.9272  1.0
]