data_TlBP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   6.21
_cell_angle_alpha   111.64
_cell_angle_beta   111.64
_cell_angle_gamma   37.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBP2
_chemical_formula_sum   'Tl1 B1 P2'
_cell_volume   78.19
_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
  Tl  Tl3  1  0.62  0.0  0.97  1.0
  B  B0  1  0.44  0.0  0.66  1.0
  P  P1  1  0.13  0.0  0.28  1.0
  P  P2  1  0.11  0.0  0.4  1.0

data_TlBP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.72
_cell_length_c   6.21
_cell_angle_alpha   111.64
_cell_angle_beta   90.0
_cell_angle_gamma   108.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBP2
_chemical_formula_sum   'Tl1 B1 P2'
_cell_volume   78.19
_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
  Tl  Tl0  1  0.0  0.38  0.03  1.0
  B  B1  1  0.0  0.56  0.34  1.0
  P  P2  1  0.0  0.87  0.72  1.0
  P  P3  1  0.0  0.89  0.6  1.0

Tl B P P