data_[Y4P4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  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 [11.2079]
_cell_length_b [6.2205]
_cell_length_c [6.5694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YPBrO4]
_chemical_formula_sum '[Y4 P4 Br4 O16]'
_cell_volume [449.8627]
_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  0.2002  0.5000  0.8208  1
  P  P1  4  0.1361  0.5000  0.2580  1
  Br  Br2  4  0.0257  0.0000  0.6772  1
  O  O3  8  0.1800  0.3038  0.1372  1
  O  O4  4  0.0021  0.5000  0.7666  1
  O  O5  4  0.1982  0.5000  0.4858  1
]