data_TiMnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.15
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   104.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnOs2
_chemical_formula_sum   'Ti1 Mn1 Os2'
_cell_volume   56.58
_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
  Ti  Ti3  1  0.7  0.0  0.57  1.0
  Mn  Mn0  1  0.75  0.08  0.73  1.0
  Os  Os1  1  0.08  0.0  0.0  1.0
  Os  Os2  1  0.57  0.08  0.24  1.0

data_TiMnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.15
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   104.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnOs2
_chemical_formula_sum   'Ti1 Mn1 Os2'
_cell_volume   56.58
_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
  Ti  Ti0  1  0.7  0.0  0.57  1.0
  Mn  Mn1  1  0.75  0.08  0.73  1.0
  Os  Os2  1  0.08  0.0  0.0  1.0
  Os  Os3  1  0.57  0.08  0.24  1.0

Ti Mn Os Os