data_Hf2CrP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   38.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrP
_chemical_formula_sum   'Hf2 Cr1 P1'
_cell_volume   66.73
_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  Hf1  1  0.0  0.0  0.84  1.0
  Hf  Hf2  1  0.94  0.0  0.0  1.0
  Cr  Cr0  1  0.94  0.0  0.26  1.0
  P  P3  1  0.0  0.0  0.77  1.0

data_Hf2CrP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.89
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   109.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrP
_chemical_formula_sum   'Hf2 Cr1 P1'
_cell_volume   66.73
_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  0.16  0.0  0.16  1.0
  Hf  Hf1  1  1.0  0.94  1.0  1.0
  Cr  Cr2  1  0.74  0.94  0.74  1.0
  P  P3  1  0.23  0.0  0.23  1.0

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