data_NaSr2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.75
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Mo
_chemical_formula_sum   'Na1 Sr2 Mo1'
_cell_volume   134.3
_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  0.0  1.0
  Sr  Sr2  1  0.74  0.88  0.1  1.0
  Sr  Sr3  1  0.74  0.88  0.16  1.0
  Mo  Mo0  1  0.0  0.0  0.13  1.0

data_NaSr2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.75
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Mo
_chemical_formula_sum   'Na1 Sr2 Mo1'
_cell_volume   134.3
_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  0.0  0.0  1.0
  Sr  Sr1  1  0.74  0.88  0.1  1.0
  Sr  Sr2  1  0.74  0.88  0.16  1.0
  Mo  Mo3  1  0.0  0.0  0.13  1.0

Na Sr Sr Mo
Na Sr Sr Mo 0 1 - - o 0 3 o o o 1 2 o o o 1 3 + + o 2 3 + + o 