data_[Cs6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [11.7534]
_cell_length_b [11.7534]
_cell_length_c [5.8157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [CsP]
_chemical_formula_sum '[Cs6 P6]'
_cell_volume [695.7603]
_cell_formula_units_Z [6]
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  6  0.1203  0.6677  0.7500  1.0
  P  P1  6  0.2245  0.5557  0.2500  1.0
]