data_[Hf6Mn1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2984]
_cell_length_b [7.2984]
_cell_length_c [3.5247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Hf6MnP2]
_chemical_formula_sum '[Hf6 Mn1 P2]'
_cell_volume [162.5957]
_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
[
  Hf  Hf0  3  0.0000  0.2515  0.5000  1.0
  Hf  Hf1  3  0.0000  0.5866  0.0000  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  P  P3  2  0.3333  0.6667  0.5000  1.0
]