data_La2ZrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   4.71
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   102.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrW
_chemical_formula_sum   'La2 Zr1 W1'
_cell_volume   103.33
_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  0.83  0.36  0.41  1.0
  La  La1  1  0.95  0.0  0.9  1.0
  Zr  Zr3  1  0.86  0.0  0.71  1.0
  W  W2  1  0.84  0.36  0.52  1.0

data_La2ZrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.71
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   102.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrW
_chemical_formula_sum   'La2 Zr1 W1'
_cell_volume   103.33
_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  0.83  0.36  0.41  1.0
  La  La1  1  0.95  0.0  0.9  1.0
  Zr  Zr2  1  0.86  0.0  0.71  1.0
  W  W3  1  0.84  0.36  0.52  1.0

La La Zr W