data_NaCo2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   136.47
_cell_angle_beta   136.47
_cell_angle_gamma   63.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Mo
_chemical_formula_sum   'Na1 Co2 Mo1'
_cell_volume   53.92
_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  0.8  0.0  0.07  1.0
  Co  Co1  1  0.0  0.0  0.14  1.0
  Mo  Mo2  1  0.0  0.8  0.07  1.0

data_NaCo2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   4.87
_cell_angle_alpha   111.76
_cell_angle_beta   111.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Mo
_chemical_formula_sum   'Na1 Co2 Mo1'
_cell_volume   53.92
_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  0.07  0.27  0.27  1.0
  Co  Co2  1  0.14  0.14  0.14  1.0
  Mo  Mo3  1  0.27  0.07  0.27  1.0

Na Co Co Mo