data_LaZrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   147.72
_cell_angle_beta   122.27
_cell_angle_gamma   67.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrW
_chemical_formula_sum   'La1 Zr1 W1'
_cell_volume   67.09
_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  0.02  1.0
  Zr  Zr2  1  0.0  0.0  0.91  1.0
  W  W1  1  0.0  0.0  0.91  1.0

data_LaZrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.14
_cell_length_c   5.32
_cell_angle_alpha   118.87
_cell_angle_beta   106.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrW
_chemical_formula_sum   'La1 Zr1 W1'
_cell_volume   67.09
_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  0.98  0.98  0.98  1.0
  Zr  Zr1  1  0.09  0.09  0.09  1.0
  W  W2  1  0.09  0.09  0.09  1.0
