data_AlTlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   6.57
_cell_angle_alpha   112.47
_cell_angle_beta   112.47
_cell_angle_gamma   38.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlP2
_chemical_formula_sum   'Al1 Tl1 P2'
_cell_volume   90.09
_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
  Al  Al0  1  0.44  0.0  0.4  1.0
  Tl  Tl3  1  0.06  0.0  0.05  1.0
  P  P1  1  0.04  0.0  0.42  1.0
  P  P2  1  0.67  0.0  0.13  1.0

data_AlTlP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.91
_cell_length_c   6.53
_cell_angle_alpha   68.4
_cell_angle_beta   75.65
_cell_angle_gamma   70.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlP2
_chemical_formula_sum   'Al1 Tl1 P2'
_cell_volume   90.09
_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
  Al  Al0  1  0.0  0.04  0.4  1.0
  Tl  Tl1  1  0.0  0.0  0.05  1.0
  P  P2  1  0.0  0.53  0.13  1.0
  P  P3  1  0.0  0.62  0.42  1.0

Al Tl P P