data_TlAsOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   6.89
_cell_angle_alpha   97.51
_cell_angle_beta   97.51
_cell_angle_gamma   38.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAsOs2
_chemical_formula_sum   'Tl1 As1 Os2'
_cell_volume   85.21
_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  0.76  0.0  0.74  1.0
  As  As0  1  0.08  0.0  0.0  1.0
  Os  Os1  1  0.1  0.0  0.6  1.0
  Os  Os2  1  0.43  0.0  0.72  1.0

data_TlAsOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.5
_cell_length_c   6.89
_cell_angle_alpha   97.51
_cell_angle_beta   90.0
_cell_angle_gamma   109.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAsOs2
_chemical_formula_sum   'Tl1 As1 Os2'
_cell_volume   85.21
_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  0.24  0.26  1.0
  As  As1  1  0.0  0.92  1.0  1.0
  Os  Os2  1  0.0  0.57  0.28  1.0
  Os  Os3  1  0.0  0.9  0.4  1.0

Tl As Os Os