data_TlCr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Os
_chemical_formula_sum   'Tl1 Cr2 Os1'
_cell_volume   62.13
_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  0.0  0.35  1.0
  Cr  Cr0  1  0.54  0.0  0.75  1.0
  Cr  Cr1  1  0.54  0.0  0.96  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   2.78
_cell_length_b   2.78
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Os
_chemical_formula_sum   'Tl1 Cr2 Os1'
_cell_volume   62.13
_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  0.0  0.35  1.0
  Cr  Cr1  1  0.54  0.0  0.75  1.0
  Cr  Cr2  1  0.54  0.0  0.96  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

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