data_[Gd6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.8620]
_cell_length_b [8.8620]
_cell_length_c [17.1227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [GdP]
_chemical_formula_sum '[Gd6 P6]'
_cell_volume [1164.5835]
_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
[
  Gd  Gd0  6  0.2030  0.4060  0.4583  1
  P  P1  3  0.0000  0.5000  0.5521  1
  P  P2  2  0.3333  0.6667  0.5725  1
  P  P3  1  0.0000  0.0000  0.4486  1
]