data_TlNi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.86
_cell_angle_alpha   100.44
_cell_angle_beta   100.44
_cell_angle_gamma   35.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNi2Os
_chemical_formula_sum   'Tl1 Ni2 Os1'
_cell_volume   58.99
_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  0.31  0.0  0.09  1.0
  Ni  Ni0  1  0.77  0.0  0.66  1.0
  Ni  Ni1  1  0.5  0.0  0.52  1.0
  Os  Os2  1  0.93  0.0  0.66  1.0

data_TlNi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.59
_cell_length_c   4.86
_cell_angle_alpha   100.44
_cell_angle_beta   90.0
_cell_angle_gamma   107.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNi2Os
_chemical_formula_sum   'Tl1 Ni2 Os1'
_cell_volume   58.99
_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  0.69  0.91  1.0
  Ni  Ni1  1  0.0  0.23  0.34  1.0
  Ni  Ni2  1  0.0  0.5  0.48  1.0
  Os  Os3  1  0.0  0.07  0.34  1.0

Tl Ni Ni Os