data_HfMgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   5.89
_cell_length_c   3.28
_cell_angle_alpha   76.99
_cell_angle_beta   71.19
_cell_angle_gamma   31.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgP
_chemical_formula_sum   'Hf1 Mg1 P1'
_cell_volume   58.19
_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  0.09  0.53  0.72  1.0
  Mg  Mg1  1  0.09  0.53  0.52  1.0
  P  P2  1  0.09  0.53  0.79  1.0

data_HfMgP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   11.02
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   129.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMgP
_chemical_formula_sum   'Hf2 Mg2 P2'
_cell_volume   116.38
_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  0.09  0.0  0.8  1.0
  Mg  Mg1  2  0.09  0.0  0.61  1.0
  P  P2  2  0.09  0.0  0.88  1.0

Hf Mg P
Hf Mg P 0 2 o o o 0 1 o o o 