data_La2CoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.56
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   92.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CoOs
_chemical_formula_sum   'La2 Co1 Os1'
_cell_volume   89.33
_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  0.65  0.78  0.78  1.0
  La  La2  1  0.56  0.78  0.35  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.84  0.0  0.57  1.0

data_La2CoOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.56
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   92.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CoOs
_chemical_formula_sum   'La2 Co1 Os1'
_cell_volume   89.33
_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  0.56  0.78  0.35  1.0
  La  La1  1  0.65  0.78  0.78  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.84  0.0  0.57  1.0

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