data_[K2P4Br2]
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 [Cm]
_cell_length_a [9.5262]
_cell_length_b [3.3050]
_cell_length_c [9.3243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KP2Br]
_chemical_formula_sum '[K2 P4 Br2]'
_cell_volume [257.7122]
_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
[
  K  K0  2  0.2437  0.5000  0.2458  1
  P  P1  2  0.3157  0.0000  0.9562  1
  P  P2  2  0.3785  0.5000  0.8498  1
  Br  Br3  2  0.0621  0.5000  0.4482  1
]