data_Hf2BP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   3.46
_cell_angle_alpha   91.77
_cell_angle_beta   91.77
_cell_angle_gamma   42.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BP
_chemical_formula_sum   'Hf2 B1 P1'
_cell_volume   57.73
_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  0.06  0.0  0.47  1.0
  Hf  Hf2  1  0.41  0.0  0.15  1.0
  B  B0  1  0.54  0.0  0.36  1.0
  P  P3  1  0.1  0.0  0.23  1.0

data_Hf2BP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.58
_cell_length_c   4.99
_cell_angle_alpha   111.01
_cell_angle_beta   91.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BP
_chemical_formula_sum   'Hf2 B1 P1'
_cell_volume   57.73
_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  0.53  0.0  0.94  1.0
  Hf  Hf1  1  0.85  0.0  0.59  1.0
  B  B2  1  0.64  0.0  0.46  1.0
  P  P3  1  0.77  0.0  0.9  1.0

Hf Hf B P