data_[Hf4V6P4]
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 [C2/m]
_cell_length_a [9.6705]
_cell_length_b [3.4475]
_cell_length_c [6.9741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2V3P2]
_chemical_formula_sum '[Hf4 V6 P4]'
_cell_volume [212.6474]
_cell_formula_units_Z [2]
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  0.1275  0.0000  0.7893  1.0
  V  V1  4  0.1350  0.5000  0.4377  1.0
  V  V2  2  0.0000  0.5000  0.0000  1.0
  P  P3  4  0.1631  0.0000  0.2155  1.0
]