data_HfMnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.73
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnP2
_chemical_formula_sum   'Hf1 Mn1 P2'
_cell_volume   59.27
_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  0.62  0.0  0.39  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.27  0.87  0.22  1.0
  P  P3  1  0.98  0.87  0.56  1.0

data_HfMnP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.73
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnP2
_chemical_formula_sum   'Hf1 Mn1 P2'
_cell_volume   59.27
_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  0.62  0.0  0.39  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.27  0.87  0.22  1.0
  P  P3  1  0.98  0.87  0.56  1.0

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