data_BaZrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   149.16
_cell_angle_beta   132.77
_cell_angle_gamma   57.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZrW2
_chemical_formula_sum   'Ba1 Zr1 W2'
_cell_volume   84.54
_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
  Ba  Ba0  1  0.0  0.0  0.34  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  W  W1  1  0.62  0.0  0.57  1.0
  W  W2  1  0.0  0.44  0.77  1.0

data_BaZrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.88
_cell_length_c   6.09
_cell_angle_alpha   113.61
_cell_angle_beta   105.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZrW2
_chemical_formula_sum   'Ba1 Zr1 W2'
_cell_volume   84.54
_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
  Ba  Ba0  1  0.0  0.34  0.34  1.0
  Zr  Zr1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.57  0.95  1.0
  W  W3  1  0.56  0.33  0.33  1.0

Ba Zr W W