data_TlAsP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAsP2
_chemical_formula_sum   'Tl1 As1 P2'
_cell_volume   80.09
_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
  Tl  Tl3  1  0.03  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.51  0.82  0.81  1.0
  P  P2  1  0.51  0.18  0.81  1.0

data_TlAsP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   100.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAsP2
_chemical_formula_sum   'Tl1 As1 P2'
_cell_volume   80.09
_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
  Tl  Tl0  1  0.0  0.03  0.0  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.81  0.51  0.18  1.0
  P  P3  1  0.81  0.51  0.82  1.0

Tl As P P