data_HfGaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.25
_cell_length_c   3.29
_cell_angle_alpha   72.51
_cell_angle_beta   71.11
_cell_angle_gamma   36.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaP
_chemical_formula_sum   'Hf1 Ga1 P1'
_cell_volume   51.12
_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  0.28  0.37  0.49  1.0
  Ga  Ga0  1  0.28  0.37  0.34  1.0
  P  P2  1  0.28  0.37  0.08  1.0

data_HfGaP
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.29
_cell_length_b   9.45
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   HfGaP
_chemical_formula_sum   'Hf2 Ga2 P2'
_cell_volume   102.33
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.14  1.0
  Ga  Ga1  2  0.0  0.0  0.28  1.0
  P  P2  2  0.0  0.0  0.55  1.0

Hf Ga P