data_TlP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   7.01
_cell_angle_alpha   99.0
_cell_angle_beta   99.0
_cell_angle_gamma   45.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlP2Os
_chemical_formula_sum   'Tl1 P2 Os1'
_cell_volume   77.82
_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  0.05  0.0  0.45  1.0
  P  P1  1  0.97  0.0  0.79  1.0
  P  P2  1  0.14  0.0  0.11  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0

data_TlP2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.96
_cell_length_c   7.01
_cell_angle_alpha   99.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlP2Os
_chemical_formula_sum   'Tl1 P2 Os1'
_cell_volume   77.82
_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  0.95  0.55  1.0
  P  P1  1  0.0  0.03  0.21  1.0
  P  P2  1  0.0  0.86  0.89  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

Tl P P Os