data_TaB2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.09
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaB2P
_chemical_formula_sum   'Ta1 B2 P1'
_cell_volume   44.7
_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
  Ta  Ta3  1  0.63  0.0  0.18  1.0
  B  B0  1  0.28  0.55  0.35  1.0
  B  B1  1  0.97  0.55  0.02  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TaB2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.31
_cell_length_c   4.36
_cell_angle_alpha   90.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaB2P
_chemical_formula_sum   'Ta1 B2 P1'
_cell_volume   44.7
_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
  Ta  Ta0  1  0.0  0.37  0.82  1.0
  B  B1  1  0.45  0.03  0.98  1.0
  B  B2  1  0.45  0.72  0.65  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ta B B P