# generated using pymatgen
data_BaCaH9W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.00483074
_cell_length_b   9.00483022
_cell_length_c   5.24873595
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaH9W
_chemical_formula_sum   'Ba3 Ca3 H27 W3'
_cell_volume   368.58393254
_cell_formula_units_Z   3
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  0.00000000  0.60747684  0.00000000  1.0
  Ba  Ba1  1  0.39252316  0.39252316  0.00000000  1.0
  Ba  Ba2  1  0.60747684  0.00000000  0.00000000  1.0
  Ca  Ca3  1  1.00000000  0.25835519  0.50000000  1.0
  Ca  Ca4  1  0.74164481  0.74164481  0.50000000  1.0
  Ca  Ca5  1  0.25835519  1.00000000  0.50000000  1.0
  H  H6  1  0.80412891  0.32436871  0.73836225  1.0
  H  H7  1  0.67563129  0.47976020  0.73836225  1.0
  H  H8  1  0.52023980  0.19587109  0.73836225  1.0
  H  H9  1  0.19587109  0.52023980  0.26163775  1.0
  H  H10  1  0.52023980  0.19587109  0.26163775  1.0
  H  H11  1  0.80412891  0.32436871  0.26163775  1.0
  H  H12  1  0.67563129  0.47976020  0.26163775  1.0
  H  H13  1  0.32436871  0.80412891  0.73836225  1.0
  H  H14  1  0.47976020  0.67563129  0.73836225  1.0
  H  H15  1  0.20000360  1.00000000  0.00000000  1.0
  H  H16  1  0.79999640  0.79999640  0.00000000  1.0
  H  H17  1  1.00000000  0.20000360  0.00000000  1.0
  H  H18  1  0.86160432  1.00000000  0.25491409  1.0
  H  H19  1  0.13839568  0.13839568  0.74508591  1.0
  H  H20  1  1.00000000  0.86160432  0.74508591  1.0
  H  H21  1  1.00000000  0.86160432  0.25491409  1.0
  H  H22  1  0.13839568  0.13839568  0.25491409  1.0
  H  H23  1  0.86160432  1.00000000  0.74508591  1.0
  H  H24  1  0.13759013  0.66708863  0.50000000  1.0
  H  H25  1  0.52949850  0.86240987  0.50000000  1.0
  H  H26  1  0.33291137  0.47050150  0.50000000  1.0
  H  H27  1  0.47050150  0.33291137  0.50000000  1.0
  H  H28  1  0.86240987  0.52949850  0.50000000  1.0
  H  H29  1  0.66708863  0.13759013  0.50000000  1.0
  H  H30  1  0.19587109  0.52023980  0.73836225  1.0
  H  H31  1  0.32436871  0.80412891  0.26163775  1.0
  H  H32  1  0.47976020  0.67563129  0.26163775  1.0
  W  W33  1  0.66666700  0.33333300  0.50000000  1.0
  W  W34  1  0.33333300  0.66666700  0.50000000  1.0
  W  W35  1  0.00000000  0.00000000  0.00000000  1.0