data_[Ti4Cr4As4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6257]
_cell_length_b [7.8162]
_cell_length_c [7.6596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TiCrAsO5]
_chemical_formula_sum '[Ti4 Cr4 As4 O20]'
_cell_volume [406.4057]
_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
[
  Ti  Ti0  4  0.2500  0.2500  0.5000  1
  Cr  Cr1  4  0.0000  0.0332  0.7500  1
  As  As2  4  0.0000  0.4094  0.7500  1
  O  O3  8  0.0944  0.2348  0.6552  1
  O  O4  8  0.2483  0.4972  0.5088  1
  O  O5  4  0.0000  0.2197  0.2500  1
]