data_[Cs4Zn4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5648]
_cell_length_b [5.5832]
_cell_length_c [7.7886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsZnP]
_chemical_formula_sum '[Cs4 Zn4 P4]'
_cell_volume [497.1363]
_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  2  0.1919  0.5000  0.4546  1.0
  Cs  Cs1  2  0.3243  0.0000  0.0893  1.0
  Zn  Zn2  4  0.4936  0.2513  0.8289  1.0
  P  P3  2  0.0277  0.0000  0.0720  1.0
  P  P4  2  0.4392  0.0000  0.5871  1.0
]