data_NaCrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   155.08
_cell_angle_beta   155.08
_cell_angle_gamma   35.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCrOs
_chemical_formula_sum   'Na1 Cr1 Os1'
_cell_volume   53.79
_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  0.0  0.0  0.25  1.0
  Cr  Cr0  1  0.0  0.0  0.45  1.0
  Os  Os2  1  0.0  0.0  0.09  1.0

data_NaCrOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   107.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCrOs
_chemical_formula_sum   'Na2 Cr2 Os2'
_cell_volume   107.58
_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
  Na  Na0  2  0.0  0.0  0.75  1.0
  Cr  Cr1  2  0.0  0.0  0.55  1.0
  Os  Os2  2  0.0  0.0  0.91  1.0

Na Cr Os
Na Cr Os 0 2 o o o 0 1 o o o 