data_NaCrMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   10.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCrMo2
_chemical_formula_sum   'Na1 Cr1 Mo2'
_cell_volume   67.8
_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  0.16  1.0
  Cr  Cr0  1  0.29  0.29  0.89  1.0
  Mo  Mo1  1  0.0  0.0  0.04  1.0
  Mo  Mo2  1  0.29  0.29  0.25  1.0

data_NaCrMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   10.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCrMo2
_chemical_formula_sum   'Na2 Cr2 Mo4'
_cell_volume   135.61
_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  0.16  1.0
  Cr  Cr1  2  0.29  0.0  0.89  1.0
  Mo  Mo2  2  0.0  0.0  0.04  1.0
  Mo  Mo3  2  0.29  0.0  0.25  1.0

Na Cr Mo Mo
Na Cr Mo Mo 0 2 o o o 0 3 o o o 1 2 o o + 