data_TlCo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.79
_cell_angle_alpha   100.25
_cell_angle_beta   100.25
_cell_angle_gamma   35.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCo2Os
_chemical_formula_sum   'Tl1 Co2 Os1'
_cell_volume   57.8
_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  0.34  0.0  0.06  1.0
  Co  Co0  1  0.79  0.0  0.6  1.0
  Co  Co1  1  0.54  0.0  0.43  1.0
  Os  Os2  1  0.99  0.0  0.67  1.0

data_TlCo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.6
_cell_length_c   4.79
_cell_angle_alpha   100.25
_cell_angle_beta   90.0
_cell_angle_gamma   107.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCo2Os
_chemical_formula_sum   'Tl1 Co2 Os1'
_cell_volume   57.8
_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  0.66  0.94  1.0
  Co  Co1  1  0.0  0.21  0.4  1.0
  Co  Co2  1  0.0  0.46  0.57  1.0
  Os  Os3  1  0.0  0.01  0.33  1.0

Tl Co Co Os
Tl Co Co Os 0 2 o o o 1 3 o o o 1 2 o o o 