data_MnTl2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   143.39
_cell_angle_beta   125.6
_cell_angle_gamma   67.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Os
_chemical_formula_sum   'Mn1 Tl2 Os1'
_cell_volume   77.65
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.71  0.0  0.28  1.0
  Tl  Tl3  1  0.0  0.49  0.26  1.0
  Os  Os1  1  0.0  0.0  0.54  1.0

data_MnTl2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.99
_cell_length_c   5.46
_cell_angle_alpha   117.2
_cell_angle_beta   108.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Os
_chemical_formula_sum   'Mn1 Tl2 Os1'
_cell_volume   77.65
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.43  0.72  0.43  1.0
  Tl  Tl2  1  0.74  0.23  0.23  1.0
  Os  Os3  1  0.46  0.46  0.46  1.0

Mn Tl Tl Os