data_TlCr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.89
_cell_angle_alpha   100.01
_cell_angle_beta   100.01
_cell_angle_gamma   35.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Os
_chemical_formula_sum   'Tl1 Cr2 Os1'
_cell_volume   63.43
_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  0.08  0.0  0.4  1.0
  Cr  Cr0  1  0.55  0.0  0.82  1.0
  Cr  Cr1  1  0.61  0.0  0.99  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0

data_TlCr2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.76
_cell_length_c   4.89
_cell_angle_alpha   100.01
_cell_angle_beta   90.0
_cell_angle_gamma   107.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Os
_chemical_formula_sum   'Tl1 Cr2 Os1'
_cell_volume   63.43
_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  0.92  0.6  1.0
  Cr  Cr1  1  0.0  0.39  0.01  1.0
  Cr  Cr2  1  0.0  0.45  0.18  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

Tl Cr Cr Os
Tl Cr Cr Os 0 3 o o o 1 2 o o o 1 3 + o + 2 3 + o + 