data_LaAg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   130.09
_cell_angle_beta   130.09
_cell_angle_gamma   73.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAg2Os
_chemical_formula_sum   'La1 Ag2 Os1'
_cell_volume   81.95
_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  La2  1  0.0  0.0  0.2  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.21  0.0  0.1  1.0
  Os  Os3  1  0.0  0.21  0.1  1.0

data_LaAg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   5.23
_cell_angle_alpha   114.95
_cell_angle_beta   114.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAg2Os
_chemical_formula_sum   'La1 Ag2 Os1'
_cell_volume   81.95
_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  0.8  0.0  0.8  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.9  0.0  0.11  1.0
  Os  Os3  1  0.11  0.21  0.11  1.0

La Ag Ag Os
La Ag Ag Os 0 1 o o o 1 3 o o o 1 2 o o o 