data_Tl2MoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   148.38
_cell_angle_beta   125.7
_cell_angle_gamma   64.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2MoOs
_chemical_formula_sum   'Tl2 Mo1 Os1'
_cell_volume   77.0
_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  Tl2  1  0.55  0.0  0.47  1.0
  Tl  Tl3  1  0.0  0.59  0.34  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.81  1.0

data_Tl2MoOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.18
_cell_length_c   5.68
_cell_angle_alpha   117.15
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2MoOs
_chemical_formula_sum   'Tl2 Mo1 Os1'
_cell_volume   77.0
_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  0.08  0.53  0.08  1.0
  Tl  Tl1  1  0.66  0.25  0.25  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.19  0.19  0.19  1.0

Tl Tl Mo Os