data_LaAsOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   135.84
_cell_angle_beta   135.84
_cell_angle_gamma   64.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAsOs2
_chemical_formula_sum   'La1 As1 Os2'
_cell_volume   73.99
_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  La1  1  0.02  0.0  0.27  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.55  1.0
  Os  Os3  1  0.0  0.02  0.27  1.0

data_LaAsOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   5.37
_cell_angle_alpha   112.08
_cell_angle_beta   112.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAsOs2
_chemical_formula_sum   'La1 As1 Os2'
_cell_volume   73.99
_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  0.73  0.0  0.74  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.45  0.0  0.45  1.0
  Os  Os3  1  0.74  0.02  0.74  1.0

La As Os Os
La As Os Os 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 