data_[Fe4As2O11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1440]
_cell_length_b [6.5753]
_cell_length_c [6.7333]
_cell_angle_alpha [108.9407]
_cell_angle_beta [106.1290]
_cell_angle_gamma [98.1477]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Fe4As2O11]
_chemical_formula_sum '[Fe4 As2 O11]'
_cell_volume [200.0790]
_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
[
  Fe  Fe0  2  0.1043  0.7534  0.0315  1.0
  Fe  Fe1  2  0.3419  0.3720  0.7494  1.0
  As  As2  2  0.3375  0.8146  0.6057  1.0
  O  O3  2  0.0740  0.7928  0.3683  1.0
  O  O4  2  0.2155  0.6558  0.7378  1.0
  O  O5  2  0.2609  0.4747  0.0435  1.0
  O  O6  2  0.3934  0.2778  0.4607  1.0
  O  O7  2  0.4633  0.0915  0.7879  1.0
  O  O8  1  0.0000  0.0000  0.0000  1.0
]