data_TlCoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   152.43
_cell_angle_beta   152.43
_cell_angle_gamma   39.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoOs
_chemical_formula_sum   'Tl1 Co1 Os1'
_cell_volume   47.65
_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  0.0  0.0  0.54  1.0
  Co  Co0  1  0.0  0.0  0.21  1.0
  Os  Os1  1  0.0  0.0  0.08  1.0

data_TlCoOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   109.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCoOs
_chemical_formula_sum   'Tl2 Co2 Os2'
_cell_volume   95.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.04  0.5  0.54  1.0
  Co  Co1  2  0.21  0.0  0.21  1.0
  Os  Os2  2  0.08  0.0  0.08  1.0

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