data_LaY2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   135.81
_cell_angle_beta   135.81
_cell_angle_gamma   64.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Os
_chemical_formula_sum   'La1 Y2 Os1'
_cell_volume   101.04
_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
  Y  Y2  1  0.0  0.24  0.52  1.0
  Y  Y3  1  0.24  0.0  0.52  1.0
  Os  Os1  1  0.0  0.0  0.04  1.0

data_LaY2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   122.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaY2Os
_chemical_formula_sum   'La2 Y4 Os2'
_cell_volume   202.07
_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
  Y  Y1  4  0.1  0.38  0.72  1.0
  Os  Os2  2  0.46  0.5  0.96  1.0

La Y Y Os
La Y Y Os 0 3 o o o 1 2 o o o 