data_HfAgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   35.37
_cell_angle_beta   35.37
_cell_angle_gamma   35.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgP2
_chemical_formula_sum   'Hf1 Ag1 P2'
_cell_volume   76.62
_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  0.92  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.47  1.0
  P  P3  1  0.0  0.0  0.37  1.0

data_HfAgP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.68
_cell_length_b   3.86
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   110.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfAgP2
_chemical_formula_sum   'Hf2 Ag2 P4'
_cell_volume   153.24
_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  0.08  1.0
  Ag  Ag1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.0  0.0  0.53  1.0
  P  P3  2  0.0  0.0  0.63  1.0

Hf Ag P P
Hf Ag P P 0 1 o o + 2 3 o o o 