data_[Y3Ni2P13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.2634]
_cell_length_b [5.2634]
_cell_length_c [13.0812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Y3Ni2P13]
_chemical_formula_sum '[Y3 Ni2 P13]'
_cell_volume [313.8377]
_cell_formula_units_Z [1]
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
[
  Y  Y0  2  0.0000  0.0000  0.2730  1
  Y  Y1  1  0.0000  0.0000  0.0000  1
  Ni  Ni2  2  0.3333  0.6667  0.0000  1
  P  P3  6  0.0000  0.5000  0.1359  1
  P  P4  4  0.3333  0.6667  0.3575  1
  P  P5  3  0.0000  0.5000  0.5000  1
]