data_Ba2TlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   9.35
_cell_angle_alpha   103.51
_cell_angle_beta   103.51
_cell_angle_gamma   59.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlP
_chemical_formula_sum   'Ba2 Tl1 P1'
_cell_volume   165.49
_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
  Ba  Ba0  1  0.15  0.0  0.28  1.0
  Ba  Ba1  1  0.39  0.0  0.73  1.0
  Tl  Tl3  1  0.77  0.0  0.5  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Ba2TlP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.63
_cell_length_c   9.35
_cell_angle_alpha   103.51
_cell_angle_beta   90.0
_cell_angle_gamma   119.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlP
_chemical_formula_sum   'Ba2 Tl1 P1'
_cell_volume   165.49
_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
  Ba  Ba0  1  0.0  0.61  0.27  1.0
  Ba  Ba1  1  0.0  0.85  0.72  1.0
  Tl  Tl2  1  0.0  0.23  0.5  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ba Ba Tl P