data_Hf2MnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33
_cell_length_b   7.33
_cell_length_c   7.33
_cell_angle_alpha   26.79
_cell_angle_beta   26.79
_cell_angle_gamma   26.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MnP
_chemical_formula_sum   'Hf2 Mn1 P1'
_cell_volume   70.55
_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  0.0  0.37  1.0
  Hf  Hf1  1  0.0  0.0  0.82  1.0
  Mn  Mn2  1  0.0  0.0  0.59  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Hf2MnP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   3.4
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   105.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2MnP
_chemical_formula_sum   'Hf4 Mn2 P2'
_cell_volume   141.1
_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  0.63  1.0
  Hf  Hf1  2  -0.0  0.0  0.18  1.0
  Mn  Mn2  2  -0.0  0.0  0.41  1.0
  P  P3  2  -0.0  0.0  0.0  1.0

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