data_[Y4As4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6606]
_cell_length_b [6.3586]
_cell_length_c [6.8014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YAsBrO4]
_chemical_formula_sum '[Y4 As4 Br4 O16]'
_cell_volume [492.7735]
_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
[
  Y  Y0  4  0.2026  0.5000  0.8295  1
  As  As1  4  0.1354  0.5000  0.2626  1
  Br  Br2  4  0.0217  0.0000  0.6727  1
  O  O3  8  0.1816  0.2948  0.1266  1
  O  O4  4  0.0122  0.5000  0.7656  1
  O  O5  4  0.2054  0.5000  0.5072  1
]