data_NaCr2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   149.27
_cell_angle_beta   128.67
_cell_angle_gamma   61.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Mo
_chemical_formula_sum   'Na1 Cr2 Mo1'
_cell_volume   60.25
_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  0.06  1.0
  Cr  Cr0  1  0.42  0.0  0.33  1.0
  Cr  Cr1  1  0.0  0.0  0.98  1.0
  Mo  Mo2  1  0.42  0.0  0.44  1.0

data_NaCr2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.63
_cell_length_c   5.34
_cell_angle_alpha   115.67
_cell_angle_beta   105.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Mo
_chemical_formula_sum   'Na1 Cr2 Mo1'
_cell_volume   60.25
_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  0.94  0.94  0.94  1.0
  Cr  Cr1  1  0.02  0.02  0.02  1.0
  Cr  Cr2  1  0.09  0.67  0.09  1.0
  Mo  Mo3  1  0.97  0.56  0.97  1.0

Na Cr Cr Mo