data_LaTaOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.19
_cell_angle_alpha   104.27
_cell_angle_beta   104.27
_cell_angle_gamma   33.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaOs2
_chemical_formula_sum   'La1 Ta1 Os2'
_cell_volume   79.55
_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  0.26  0.0  0.22  1.0
  Ta  Ta3  1  0.71  0.0  0.85  1.0
  Os  Os1  1  0.76  0.0  0.6  1.0
  Os  Os2  1  0.58  0.0  0.86  1.0

data_LaTaOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.19
_cell_length_c   5.36
_cell_angle_alpha   104.27
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaOs2
_chemical_formula_sum   'La1 Ta1 Os2'
_cell_volume   79.55
_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  0.22  0.26  1.0
  Ta  Ta1  1  0.0  0.85  0.71  1.0
  Os  Os2  1  0.0  0.6  0.76  1.0
  Os  Os3  1  0.0  0.86  0.58  1.0

La Ta Os Os
La Ta Os Os 0 2 - o - 0 2 o o o 0 2 - + o 0 1 - o - 0 1 o o - 0 1 o o o 0 0 + - o 0 3 o o - 0 3 o o o 1 3 o o o 1 2 o o o 