data_NaYMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54
_cell_length_b   8.4
_cell_length_c   3.03
_cell_angle_alpha   82.27
_cell_angle_beta   77.15
_cell_angle_gamma   20.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYMo
_chemical_formula_sum   'Na1 Y1 Mo1'
_cell_volume   72.71
_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  0.85  0.4  0.69  1.0
  Y  Y2  1  0.85  0.4  0.85  1.0
  Mo  Mo0  1  0.85  0.4  0.24  1.0

data_NaYMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.7
_cell_length_b   16.39
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   127.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaYMo
_chemical_formula_sum   'Na2 Y2 Mo2'
_cell_volume   145.41
_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  0.35  0.5  0.54  1.0
  Y  Y1  2  0.35  0.5  0.7  1.0
  Mo  Mo2  2  0.35  0.5  0.09  1.0

Na Y Mo
Na Y Mo 0 1 o o o 0 2 o o o 1 2 o o + 