data_NaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   6.94
_cell_angle_alpha   101.2
_cell_angle_beta   101.2
_cell_angle_gamma   21.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMo
_chemical_formula_sum   'Na3 Mo3'
_cell_volume   119.79
_cell_formula_units_Z   3
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  Na3  1  0.65  0.0  0.68  1.0
  Na  Na4  1  0.25  0.0  0.49  1.0
  Na  Na5  1  0.59  0.0  0.38  1.0
  Mo  Mo0  1  0.53  0.0  0.05  1.0
  Mo  Mo1  1  0.29  0.0  0.42  1.0
  Mo  Mo2  1  0.3  0.0  0.72  1.0

data_NaMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   6.93
_cell_length_c   6.94
_cell_angle_alpha   101.2
_cell_angle_beta   90.0
_cell_angle_gamma   100.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMo
_chemical_formula_sum   'Na3 Mo3'
_cell_volume   119.79
_cell_formula_units_Z   3
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  0.35  0.32  1.0
  Na  Na1  1  0.0  0.41  0.62  1.0
  Na  Na2  1  0.0  0.75  0.51  1.0
  Mo  Mo3  1  0.0  0.47  0.95  1.0
  Mo  Mo4  1  0.0  0.7  0.28  1.0
  Mo  Mo5  1  0.0  0.71  0.58  1.0

Na Na Na Mo Mo Mo