data_NaCo2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   153.42
_cell_angle_beta   131.1
_cell_angle_gamma   56.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Mo
_chemical_formula_sum   'Na1 Co2 Mo1'
_cell_volume   57.27
_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  0.44  1.0
  Co  Co0  1  0.28  0.0  0.36  1.0
  Co  Co1  1  0.0  0.0  0.31  1.0
  Mo  Mo2  1  0.28  0.0  0.55  1.0

data_NaCo2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.59
_cell_length_c   5.55
_cell_angle_alpha   114.45
_cell_angle_beta   103.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Mo
_chemical_formula_sum   'Na1 Co2 Mo1'
_cell_volume   57.27
_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  0.56  0.56  0.56  1.0
  Co  Co1  1  0.69  0.69  0.69  1.0
  Co  Co2  1  0.92  0.64  0.92  1.0
  Mo  Mo3  1  0.72  0.45  0.72  1.0

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