data_[Hf4Zn2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3088]
_cell_length_b [3.6590]
_cell_length_c [7.5280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf2ZnP]
_chemical_formula_sum '[Hf4 Zn2 P2]'
_cell_volume [137.1517]
_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  2  0.1998  0.2500  0.4172  1.0
  Hf  Hf1  2  0.2657  0.7500  0.0636  1.0
  Zn  Zn2  2  0.3813  0.7500  0.7080  1.0
  P  P3  2  0.1346  0.2500  0.7922  1.0
]