data_Ti2AsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   146.02
_cell_angle_beta   135.51
_cell_angle_gamma   57.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AsOs
_chemical_formula_sum   'Ti2 As1 Os1'
_cell_volume   62.42
_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  Ti2  1  0.0  0.0  0.39  1.0
  Ti  Ti3  1  0.59  0.0  0.35  1.0
  As  As0  1  0.0  0.0  1.0  1.0
  Os  Os1  1  0.0  0.06  0.36  1.0

data_Ti2AsOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.12
_cell_length_c   5.44
_cell_angle_alpha   112.25
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AsOs
_chemical_formula_sum   'Ti2 As1 Os1'
_cell_volume   62.42
_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  0.0  0.35  0.76  1.0
  Ti  Ti1  1  0.0  0.39  0.39  1.0
  As  As2  1  0.0  1.0  1.0  1.0
  Os  Os3  1  0.94  0.3  0.3  1.0

Ti Ti As Os
Ti Ti As Os 0 3 o o o 0 1 - o o 1 2 o o - 1 2 + o o 1 3 + o o 2 3 o o + 