data_[Na12Yb3P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Yb  1.1000  1.7500  1.0840
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8073]
_cell_length_b [4.8073]
_cell_length_c [23.7356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na4YbP2]
_chemical_formula_sum '[Na12 Yb3 P6]'
_cell_volume [475.0473]
_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
[
  Na  Na0  6  0.0000  0.0000  0.1378  1.0
  Na  Na1  6  0.0000  0.0000  0.4000  1.0
  Yb  Yb2  3  0.0000  0.0000  0.0000  1.0
  P  P3  6  0.0000  0.0000  0.2627  1.0
]