data_MgTl2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   10.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2Os
_chemical_formula_sum   'Mg1 Tl2 Os1'
_cell_volume   91.96
_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
  Mg  Mg0  1  0.0  0.0  0.98  1.0
  Tl  Tl2  1  0.0  0.0  0.53  1.0
  Tl  Tl3  1  0.67  0.0  0.92  1.0
  Os  Os1  1  0.67  0.0  0.94  1.0

data_MgTl2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   10.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2Os
_chemical_formula_sum   'Mg1 Tl2 Os1'
_cell_volume   91.96
_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
  Mg  Mg0  1  0.0  0.0  0.98  1.0
  Tl  Tl1  1  0.0  0.0  0.53  1.0
  Tl  Tl2  1  0.67  0.0  0.92  1.0
  Os  Os3  1  0.67  0.0  0.94  1.0

Mg Tl Tl Os
Mg Tl Tl Os 0 3 - o o 0 2 - o o 1 1 + + o 1 1 o + o 1 1 + o o 2 3 o o o 