data_NaCoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   4.61
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   101.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCoMo2
_chemical_formula_sum   'Na1 Co1 Mo2'
_cell_volume   62.49
_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
  Co  Co0  1  0.77  0.0  0.6  1.0
  Mo  Mo1  1  0.83  0.31  0.77  1.0
  Mo  Mo2  1  0.71  0.31  0.43  1.0

data_NaCoMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.61
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   101.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCoMo2
_chemical_formula_sum   'Na1 Co1 Mo2'
_cell_volume   62.49
_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
  Co  Co1  1  0.77  0.0  0.6  1.0
  Mo  Mo2  1  0.71  0.31  0.43  1.0
  Mo  Mo3  1  0.83  0.31  0.77  1.0

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