data_LaHf2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   3.7
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   115.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHf2P
_chemical_formula_sum   'La1 Hf2 P1'
_cell_volume   98.04
_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
  La  La2  1  0.34  0.0  0.59  1.0
  Hf  Hf0  1  0.93  0.85  0.19  1.0
  Hf  Hf1  1  0.75  0.85  0.99  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_LaHf2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.11
_cell_length_c   5.73
_cell_angle_alpha   115.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHf2P
_chemical_formula_sum   'La1 Hf2 P1'
_cell_volume   98.04
_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
  La  La0  1  0.0  0.66  0.41  1.0
  Hf  Hf1  1  0.15  0.07  0.81  1.0
  Hf  Hf2  1  0.15  0.25  0.01  1.0
  P  P3  1  0.0  0.0  0.0  1.0

La Hf Hf P
La Hf Hf P 0 1 - - o 0 2 o - o 1 2 o o - 1 3 + + o 2 3 + + + 