data_TlAsOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   150.57
_cell_angle_beta   133.02
_cell_angle_gamma   56.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAsOs2
_chemical_formula_sum   'Tl1 As1 Os2'
_cell_volume   70.69
_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  0.0  0.32  0.02  1.0
  As  As0  1  0.0  0.0  0.04  1.0
  Os  Os1  1  0.0  0.32  0.13  1.0
  Os  Os2  1  0.0  0.0  0.22  1.0

data_TlAsOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.65
_cell_length_c   5.83
_cell_angle_alpha   113.49
_cell_angle_beta   104.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAsOs2
_chemical_formula_sum   'Tl1 As1 Os2'
_cell_volume   70.69
_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  0.98  0.31  0.31  1.0
  As  As1  1  0.96  0.96  0.96  1.0
  Os  Os2  1  0.78  0.78  0.78  1.0
  Os  Os3  1  0.87  0.19  0.19  1.0

Tl As Os Os
Tl As Os Os 0 2 o o o 1 3 o o o 