data_Na3Mo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Mo2
_chemical_formula_sum   'Na3 Mo2'
_cell_volume   127.6
_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
  Na  Na3  1  0.28  0.32  0.51  1.0
  Na  Na4  1  0.0  0.64  0.56  1.0
  Mo  Mo0  1  0.28  0.32  0.44  1.0
  Mo  Mo1  1  0.0  0.64  0.63  1.0

data_Na3Mo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Mo2
_chemical_formula_sum   'Na3 Mo2'
_cell_volume   127.6
_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  0.64  0.56  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.28  0.32  0.51  1.0
  Mo  Mo3  1  -0.0  0.64  0.63  1.0
  Mo  Mo4  1  0.28  0.32  0.44  1.0

Na Na Na Mo Mo
Na Na Na Mo Mo 0 4 o o - 0 4 o - - 0 2 o - - 0 1 o o - 0 1 o o o 0 3 o o o 1 3 o o o 2 4 o o o 