data_LaOs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   3.1
_cell_angle_alpha   105.14
_cell_angle_beta   105.14
_cell_angle_gamma   122.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaOs2Se
_chemical_formula_sum   'La1 Os2 Se1'
_cell_volume   76.58
_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  0.84  0.0  0.0  1.0
  Os  Os1  1  0.58  0.41  0.3  1.0
  Os  Os2  1  0.58  0.59  0.3  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_LaOs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.78
_cell_length_c   5.9
_cell_angle_alpha   113.83
_cell_angle_beta   105.14
_cell_angle_gamma   90.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaOs2Se
_chemical_formula_sum   'La1 Os2 Se1'
_cell_volume   76.58
_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  0.84  1.0
  Os  Os1  1  0.71  0.41  1.0  1.0
  Os  Os2  1  0.89  0.59  0.17  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

La Os Os Se
La Os Os Se 0 3 + o o 1 2 o o o 