data_NaCaOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   3.86
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   92.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaOs2
_chemical_formula_sum   'Na1 Ca1 Os2'
_cell_volume   90.17
_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
  Na  Na1  1  0.22  0.0  0.61  1.0
  Ca  Ca0  1  0.66  0.93  0.53  1.0
  Os  Os2  1  0.8  0.93  0.62  1.0
  Os  Os3  1  0.32  0.0  0.5  1.0

data_NaCaOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.86
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   92.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaOs2
_chemical_formula_sum   'Na1 Ca1 Os2'
_cell_volume   90.17
_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
  Na  Na0  1  0.22  0.0  0.61  1.0
  Ca  Ca1  1  0.66  0.93  0.53  1.0
  Os  Os2  1  0.32  0.0  0.5  1.0
  Os  Os3  1  0.8  0.93  0.62  1.0

Na Ca Os Os