data_Ta2BP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   42.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BP
_chemical_formula_sum   'Ta2 B1 P1'
_cell_volume   52.14
_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  Ta2  1  0.73  0.0  0.14  1.0
  Ta  Ta3  1  0.0  0.0  0.4  1.0
  B  B0  1  0.0  0.0  0.98  1.0
  P  P1  1  0.73  0.0  0.69  1.0

data_Ta2BP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.47
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   111.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BP
_chemical_formula_sum   'Ta2 B1 P1'
_cell_volume   52.14
_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  0.6  0.0  0.6  1.0
  Ta  Ta1  1  0.86  0.73  0.86  1.0
  B  B2  1  0.02  0.0  0.02  1.0
  P  P3  1  0.31  0.73  0.31  1.0

Ta Ta B P
Ta Ta B P 0 2 + o - 0 1 + o o 1 3 - o o 2 3 - o o 