data_NaCu2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88
_cell_length_b   9.88
_cell_length_c   9.88
_cell_angle_alpha   15.84
_cell_angle_beta   15.84
_cell_angle_gamma   15.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCu2Mo
_chemical_formula_sum   'Na1 Cu2 Mo1'
_cell_volume   62.64
_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  Na3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.12  1.0
  Cu  Cu1  1  0.0  0.0  0.14  1.0
  Mo  Mo2  1  0.0  0.0  0.63  1.0

data_NaCu2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   2.72
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   99.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCu2Mo
_chemical_formula_sum   'Na2 Cu4 Mo2'
_cell_volume   125.29
_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
  Cu  Cu1  2  0.0  0.0  0.86  1.0
  Cu  Cu2  2  0.0  0.0  0.88  1.0
  Mo  Mo3  2  0.0  0.0  0.37  1.0

Na Cu Cu Mo