data_La2ZrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   148.12
_cell_angle_beta   135.65
_cell_angle_gamma   55.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrW
_chemical_formula_sum   'La2 Zr1 W1'
_cell_volume   104.15
_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  0.48  0.38  1.0
  La  La1  1  0.81  0.0  0.43  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.0  0.81  1.0

data_La2ZrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.96
_cell_length_c   6.57
_cell_angle_alpha   112.17
_cell_angle_beta   105.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrW
_chemical_formula_sum   'La2 Zr1 W1'
_cell_volume   104.15
_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  0.43  0.63  1.0
  La  La1  1  0.52  0.9  0.9  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.81  0.81  1.0

La La Zr W