data_NaCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   5.84
_cell_angle_alpha   94.03
_cell_angle_beta   94.03
_cell_angle_gamma   32.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCu2Os
_chemical_formula_sum   'Na1 Cu2 Os1'
_cell_volume   64.8
_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  Na2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.56  0.0  0.84  1.0
  Cu  Cu1  1  0.8  0.0  0.99  1.0
  Os  Os3  1  0.18  0.0  0.91  1.0

data_NaCu2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.53
_cell_length_b   4.57
_cell_length_c   5.84
_cell_angle_alpha   94.03
_cell_angle_beta   90.0
_cell_angle_gamma   106.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCu2Os
_chemical_formula_sum   'Na1 Cu2 Os1'
_cell_volume   64.8
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.2  0.01  1.0
  Cu  Cu2  1  0.0  0.44  0.16  1.0
  Os  Os3  1  0.0  0.82  0.09  1.0

Na Cu Cu Os
Na Cu Cu Os 0 2 - o - 0 3 o o - 1 2 o o o 