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 [C2/m]
_cell_length_a [8.4900]
_cell_length_b [6.8479]
_cell_length_c [6.3832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.9102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrAsO4]
_chemical_formula_sum '[Zr4 As4 O16]'
_cell_volume [288.7743]
_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  0.2359  0.5000  0.3643  1.0
  As  As1  4  0.1840  0.0000  0.0827  1.0
  O  O2  8  0.2396  0.6862  0.6704  1.0
  O  O3  4  0.0536  0.0000  0.7181  1.0
  O  O4  4  0.0946  0.5000  0.9035  1.0
]