data_NaLa2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   5.93
_cell_angle_alpha   104.64
_cell_angle_beta   104.64
_cell_angle_gamma   29.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2W
_chemical_formula_sum   'Na1 La2 W1'
_cell_volume   110.66
_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  0.83  0.0  0.03  1.0
  La  La0  1  0.27  0.0  0.49  1.0
  La  La1  1  0.83  0.0  0.07  1.0
  W  W3  1  0.89  0.0  0.99  1.0

data_NaLa2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.93
_cell_length_c   6.25
_cell_angle_alpha   104.64
_cell_angle_beta   104.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2W
_chemical_formula_sum   'Na1 La2 W1'
_cell_volume   110.66
_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  0.0  0.03  0.83  1.0
  La  La1  1  0.0  0.07  0.83  1.0
  La  La2  1  0.0  0.49  0.27  1.0
  W  W3  1  0.0  0.99  0.89  1.0

Na La La W
Na La La W 0 2 o o o 0 1 + o o 0 3 o o - 1 2 - o o 1 3 - o - 1 1 + - o 