data_[Te2P4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0411]
_cell_length_b [11.6360]
_cell_length_c [9.7945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te(PBr4)2]
_chemical_formula_sum '[Te2 P4 Br16]'
_cell_volume [1125.1345]
_cell_formula_units_Z [2]
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
[
  Te  Te0  2  0.0000  0.0000  0.0000  1
  P  P1  4  0.2120  0.0000  0.6561  1
  Br  Br2  8  0.1875  0.1511  0.7866  1
  Br  Br3  4  0.0641  0.5000  0.2675  1
  Br  Br4  4  0.2237  0.0000  0.2586  1
]