data_NaZnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   139.37
_cell_angle_beta   139.37
_cell_angle_gamma   58.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnMo2
_chemical_formula_sum   'Na1 Zn1 Mo2'
_cell_volume   66.35
_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
  Zn  Zn3  1  0.0  0.0  0.71  1.0
  Mo  Mo0  1  0.0  0.88  0.35  1.0
  Mo  Mo1  1  0.88  0.0  0.35  1.0

data_NaZnMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   119.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaZnMo2
_chemical_formula_sum   'Na2 Zn2 Mo4'
_cell_volume   132.69
_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  0.0  1.0
  Zn  Zn1  2  0.0  0.0  0.29  1.0
  Mo  Mo2  4  0.44  0.56  0.52  1.0

Na Zn Mo Mo