data_[Y3Ni3P3]
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 [P-6m2]
_cell_length_a [3.8936]
_cell_length_b [3.8936]
_cell_length_c [11.7066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [YNiP]
_chemical_formula_sum '[Y3 Ni3 P3]'
_cell_volume [153.6947]
_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
[
  Y  Y0  2  0.3333  0.6667  0.3329  1.0
  Y  Y1  1  0.3333  0.6667  0.0000  1.0
  Ni  Ni2  2  0.6667  0.3333  0.8370  1.0
  Ni  Ni3  1  0.0000  0.0000  0.5000  1.0
  P  P4  2  0.0000  0.0000  0.1688  1.0
  P  P5  1  0.6667  0.3333  0.5000  1.0
]