data_[Cs15Cu3P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2093]
_cell_length_b [6.2093]
_cell_length_c [27.5765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs5CuP2]
_chemical_formula_sum '[Cs15 Cu3 P6]'
_cell_volume [920.7641]
_cell_formula_units_Z [3]
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  0.0000  0.0000  0.2163  1.0
  Cs  Cs1  6  0.0000  0.0000  0.3615  1.0
  Cs  Cs2  3  -0.0000  -0.0000  0.5000  1.0
  Cu  Cu3  3  0.0000  0.0000  0.0000  1.0
  P  P4  6  0.0000  0.0000  0.0819  1.0
]