data_LaZrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   3.8
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrOs2
_chemical_formula_sum   'La1 Zr1 Os2'
_cell_volume   86.76
_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  0.46  0.9  0.19  1.0
  Zr  Zr3  1  0.0  0.0  0.33  1.0
  Os  Os1  1  0.0  0.0  0.6  1.0
  Os  Os2  1  0.46  0.9  0.63  1.0

data_LaZrOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.8
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrOs2
_chemical_formula_sum   'La1 Zr1 Os2'
_cell_volume   86.76
_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  0.46  0.9  0.19  1.0
  Zr  Zr1  1  0.0  0.0  0.33  1.0
  Os  Os2  1  0.0  0.0  0.6  1.0
  Os  Os3  1  0.46  0.9  0.63  1.0

La Zr Os Os
La Zr Os Os 0 1 o + o 0 1 + + o 1 2 o o o 2 3 - - o 2 3 o - o 