data_NaScMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24
_cell_length_b   8.24
_cell_length_c   8.24
_cell_angle_alpha   160.15
_cell_angle_beta   160.15
_cell_angle_gamma   28.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScMo
_chemical_formula_sum   'Na1 Sc1 Mo1'
_cell_volume   64.44
_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  0.45  1.0
  Sc  Sc2  1  0.0  0.0  0.31  1.0
  Mo  Mo0  1  0.0  0.0  0.21  1.0

data_NaScMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   104.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaScMo
_chemical_formula_sum   'Na2 Sc2 Mo2'
_cell_volume   128.89
_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  0.55  1.0
  Sc  Sc1  2  0.0  0.0  0.69  1.0
  Mo  Mo2  2  0.0  0.0  0.79  1.0

Na Sc Mo