data_[Hf4V12P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2525]
_cell_length_b [3.3091]
_cell_length_c [10.9160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HfV3P]
_chemical_formula_sum '[Hf4 V12 P4]'
_cell_volume [298.0992]
_cell_formula_units_Z [4]
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
[
  Hf  Hf0  4  0.1643  0.2500  0.0097  1.0
  V  V1  4  0.0549  0.2500  0.4151  1.0
  V  V2  4  0.0991  0.7500  0.2348  1.0
  V  V3  4  0.1528  0.7500  0.7867  1.0
  P  P4  4  0.1440  0.2500  0.6296  1.0
]