data_[Zn8P12Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6544]
_cell_length_b [8.8043]
_cell_length_c [7.3258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zn2P3Br]
_chemical_formula_sum '[Zn8 P12 Br4]'
_cell_volume [486.9622]
_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
[
  Zn  Zn0  8  0.2390  0.1426  0.2720  1.0
  P  P1  8  0.1228  0.0465  0.9625  1.0
  P  P2  4  0.0000  0.2124  0.7500  1.0
  Br  Br3  4  0.0000  0.3565  0.2500  1.0
]