data_[Nd1Y2Hf1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8558]
_cell_length_b [3.9599]
_cell_length_c [6.8763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NdY2HfP4]
_chemical_formula_sum '[Nd1 Y2 Hf1 P4]'
_cell_volume [176.2843]
_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
[
  Nd  Nd0  1  0.0000  0.5000  0.5000  1
  Y  Y1  1  0.5000  0.0000  0.5000  1
  Y  Y2  1  0.5000  0.5000  0.0000  1
  Hf  Hf3  1  0.0000  0.0000  0.0000  1
  P  P4  2  0.2383  0.5000  0.2321  1
  P  P5  2  0.2481  0.0000  0.7646  1
]