data_HfZr2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52
_cell_length_b   8.52
_cell_length_c   8.52
_cell_angle_alpha   23.44
_cell_angle_beta   23.44
_cell_angle_gamma   23.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2P
_chemical_formula_sum   'Hf1 Zr2 P1'
_cell_volume   86.02
_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  1  0.0  0.0  0.43  1.0
  Zr  Zr2  1  0.0  0.0  0.2  1.0
  Zr  Zr3  1  0.0  0.0  0.66  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_HfZr2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.0
_cell_length_b   3.46
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   103.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfZr2P
_chemical_formula_sum   'Hf2 Zr4 P2'
_cell_volume   172.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.57  1.0
  Zr  Zr1  2  -0.0  0.0  0.8  1.0
  Zr  Zr2  2  0.0  0.0  0.34  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Hf Zr Zr P
Hf Zr Zr P 0 1 o o o 0 2 o o o 1 3 o o o 