data_Na2BiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   5.47
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   105.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BiMo
_chemical_formula_sum   'Na2 Bi1 Mo1'
_cell_volume   92.1
_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  Na2  1  0.97  0.74  0.26  1.0
  Na  Na3  1  0.66  0.74  0.11  1.0
  Bi  Bi0  1  0.82  0.0  0.69  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_Na2BiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.47
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   105.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BiMo
_chemical_formula_sum   'Na2 Bi1 Mo1'
_cell_volume   92.1
_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  0.66  0.74  0.11  1.0
  Na  Na1  1  0.97  0.74  0.26  1.0
  Bi  Bi2  1  0.82  0.0  0.69  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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