data_Hf2ZrP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   146.54
_cell_angle_beta   128.82
_cell_angle_gamma   62.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZrP
_chemical_formula_sum   'Hf2 Zr1 P1'
_cell_volume   82.75
_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  0.67  0.0  0.88  1.0
  Hf  Hf1  1  0.0  0.5  0.08  1.0
  Zr  Zr3  1  0.0  0.0  0.95  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Hf2ZrP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.01
_cell_length_c   5.8
_cell_angle_alpha   115.59
_cell_angle_beta   106.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZrP
_chemical_formula_sum   'Hf2 Zr1 P1'
_cell_volume   82.75
_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  0.88  0.21  1.0
  Hf  Hf1  1  0.5  0.57  0.57  1.0
  Zr  Zr2  1  0.0  0.95  0.95  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Hf Hf Zr P