data_TiBP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.48
_cell_length_c   3.53
_cell_angle_alpha   70.88
_cell_angle_beta   64.03
_cell_angle_gamma   45.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBP2
_chemical_formula_sum   'Ti1 B1 P2'
_cell_volume   47.29
_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
  Ti  Ti3  1  0.27  0.7  0.86  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.27  0.35  0.93  1.0
  P  P2  1  0.0  0.35  0.93  1.0

data_TiBP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   4.48
_cell_angle_alpha   109.12
_cell_angle_beta   109.12
_cell_angle_gamma   99.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBP2
_chemical_formula_sum   'Ti1 B1 P2'
_cell_volume   47.29
_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
  Ti  Ti0  1  0.17  0.3  0.03  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.45  0.65  0.38  1.0
  P  P3  1  0.72  0.65  0.65  1.0

Ti B P P