data_LaZn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.91
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn2W
_chemical_formula_sum   'La1 Zn2 W1'
_cell_volume   77.72
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.5  0.96  0.59  1.0
  Zn  Zn3  1  0.5  0.96  0.04  1.0
  W  W1  1  0.0  0.0  0.31  1.0

data_LaZn2W
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.91
_cell_length_b   3.0
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaZn2W
_chemical_formula_sum   'La1 Zn2 W1'
_cell_volume   77.72
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  La  La0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.96  0.5  0.04  1.0
  Zn  Zn2  1  0.96  0.5  0.59  1.0
  W  W3  1  0.0  0.0  0.31  1.0

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