data_[Sm1Hf1Ni2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8279]
_cell_length_b [3.8279]
_cell_length_c [7.5450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [SmHf(NiP)2]
_chemical_formula_sum '[Sm1 Hf1 Ni2 P2]'
_cell_volume [95.7442]
_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
[
  Sm  Sm0  1  0.0000  0.0000  0.0000  1.0
  Hf  Hf1  1  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.3333  0.6667  0.2789  1.0
  P  P3  2  0.3333  0.6667  0.7330  1.0
]