data_Na2BW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   10.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BW
_chemical_formula_sum   'Na2 B1 W1'
_cell_volume   66.88
_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  Na1  1  0.58  0.0  0.17  1.0
  Na  Na2  1  0.58  0.0  0.84  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.01  1.0

data_Na2BW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   10.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BW
_chemical_formula_sum   'Na2 B1 W1'
_cell_volume   66.88
_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  0.58  0.0  0.17  1.0
  Na  Na1  1  0.58  0.0  0.84  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.01  1.0

Na Na B W
Na Na B W 0 3 o o o 0 3 + o o 0 2 o o o 0 2 + o o 1 3 o o + 1 3 + o + 1 2 o o + 1 2 + o + 2 3 o o o 