data_[Cs4K4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4733]
_cell_length_b [5.4658]
_cell_length_c [11.6630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsKP]
_chemical_formula_sum '[Cs4 K4 P4]'
_cell_volume [603.8099]
_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
[
  Cs  Cs0  4  0.1593  0.0000  0.7097  1.0
  K  K1  4  0.1682  0.0000  0.0426  1.0
  P  P2  4  0.0027  0.5000  0.0966  1.0
]