data_TaTi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   146.09
_cell_angle_beta   129.71
_cell_angle_gamma   62.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi2Os
_chemical_formula_sum   'Ta1 Ti2 Os1'
_cell_volume   64.87
_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
  Ta  Ta1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.56  0.0  0.41  1.0
  Ti  Ti3  1  0.0  0.27  0.17  1.0
  Os  Os0  1  0.0  0.0  0.58  1.0

data_TaTi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.54
_cell_length_c   5.35
_cell_angle_alpha   115.15
_cell_angle_beta   106.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi2Os
_chemical_formula_sum   'Ta1 Ti2 Os1'
_cell_volume   64.87
_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
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.41  0.85  1.0
  Ti  Ti2  1  0.73  0.9  0.9  1.0
  Os  Os3  1  0.0  0.58  0.58  1.0

Ta Ti Ti Os