data_[Li4Fe4As4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Imma]
_cell_length_a [5.8986]
_cell_length_b [6.0373]
_cell_length_c [8.3217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiFeAsO4]
_chemical_formula_sum '[Li4 Fe4 As4 O16]'
_cell_volume [296.3511]
_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
[
  Li  Li0  4  0.2500  0.2500  0.2500  1.0
  Fe  Fe1  4  0.0000  0.0000  0.0000  1.0
  As  As2  4  0.0000  0.2500  0.6296  1.0
  O  O3  8  0.0000  0.0124  0.7453  1.0
  O  O4  8  0.2396  0.2500  0.5054  1.0
]