data_[K1P2Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7914]
_cell_length_b [3.3110]
_cell_length_c [8.2887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KP2Br]
_chemical_formula_sum '[K1 P2 Br1]'
_cell_volume [127.9582]
_cell_formula_units_Z [1]
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
[
  K  K0  1  0.4406  0.5000  0.2636  1
  P  P1  1  0.6384  0.5000  0.8578  1
  P  P2  1  0.9168  0.0000  0.9507  1
  Br  Br3  1  0.0042  0.0000  0.4279  1
]