data_LaTi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   3.04
_cell_angle_alpha   99.94
_cell_angle_beta   99.94
_cell_angle_gamma   114.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2Os
_chemical_formula_sum   'La1 Ti2 Os1'
_cell_volume   73.81
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.95  0.77  0.44  1.0
  Ti  Ti3  1  0.95  0.23  0.44  1.0
  Os  Os1  1  0.87  0.0  0.0  1.0

data_LaTi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   114.63
_cell_angle_beta   99.94
_cell_angle_gamma   99.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2Os
_chemical_formula_sum   'La1 Ti2 Os1'
_cell_volume   73.81
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.44  0.95  0.23  1.0
  Ti  Ti2  1  0.44  0.95  0.77  1.0
  Os  Os3  1  0.0  0.87  0.0  1.0

La Ti Ti Os