data_LaSi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85
_cell_length_b   8.85
_cell_length_c   8.85
_cell_angle_alpha   20.63
_cell_angle_beta   20.63
_cell_angle_gamma   20.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSi2Os
_chemical_formula_sum   'La1 Si2 Os1'
_cell_volume   75.43
_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
  Si  Si2  1  0.0  0.0  0.03  1.0
  Si  Si3  1  0.0  0.0  0.95  1.0
  Os  Os1  1  0.0  0.0  0.99  1.0

data_LaSi2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   3.17
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   101.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaSi2Os
_chemical_formula_sum   'La2 Si4 Os2'
_cell_volume   150.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Si  Si1  2  0.0  0.0  0.05  1.0
  Si  Si2  2  0.0  0.0  0.97  1.0
  Os  Os3  2  0.0  0.0  0.01  1.0

La Si Si Os
La Si Si Os 0 3 o o - 0 1 o o o 0 2 o o - 1 3 o o - 2 3 o o o 