data_NaSb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   4.73
_cell_angle_alpha   95.05
_cell_angle_beta   95.05
_cell_angle_gamma   34.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSb2Mo
_chemical_formula_sum   'Na1 Sb2 Mo1'
_cell_volume   89.95
_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  0.3  0.0  0.95  1.0
  Sb  Sb2  1  0.08  0.0  0.32  1.0
  Sb  Sb3  1  0.08  0.0  0.21  1.0
  Mo  Mo0  1  0.49  0.0  0.58  1.0

data_NaSb2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.73
_cell_length_c   5.8
_cell_angle_alpha   95.05
_cell_angle_beta   107.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSb2Mo
_chemical_formula_sum   'Na1 Sb2 Mo1'
_cell_volume   89.95
_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  0.95  0.3  1.0
  Sb  Sb1  1  0.0  0.21  0.08  1.0
  Sb  Sb2  1  0.0  0.32  0.08  1.0
  Mo  Mo3  1  0.0  0.58  0.49  1.0

Na Sb Sb Mo