# generated using pymatgen
data_Ca(BH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97886800
_cell_length_b   6.97886800
_cell_length_c   4.36195500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(BH4)2
_chemical_formula_sum   'Ca2 B4 H16'
_cell_volume   212.44726722
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.00000000  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.50000000  0.00000000  0.00000000  1.0
  B  B2  1  0.79838400  0.68363000  0.00000000  1.0
  B  B3  1  0.20161600  0.31637000  0.00000000  1.0
  B  B4  1  0.31637000  0.79838400  0.50000000  1.0
  B  B5  1  0.68363000  0.20161600  0.50000000  1.0
  H  H6  1  0.62317800  0.69511300  0.00000000  1.0
  H  H7  1  0.37682200  0.30488700  0.00000000  1.0
  H  H8  1  0.30488700  0.62317800  0.50000000  1.0
  H  H9  1  0.69511300  0.37682200  0.50000000  1.0
  H  H10  1  0.86635300  0.76110900  0.77310700  1.0
  H  H11  1  0.13364700  0.23889100  0.77310700  1.0
  H  H12  1  0.23889100  0.86635300  0.27310700  1.0
  H  H13  1  0.76110900  0.13364700  0.27310700  1.0
  H  H14  1  0.86635300  0.76110900  0.22689300  1.0
  H  H15  1  0.13364700  0.23889100  0.22689300  1.0
  H  H16  1  0.23889100  0.86635300  0.72689300  1.0
  H  H17  1  0.76110900  0.13364700  0.72689300  1.0
  H  H18  1  0.82860000  0.50994000  0.00000000  1.0
  H  H19  1  0.17140000  0.49006000  0.00000000  1.0
  H  H20  1  0.49006000  0.82860000  0.50000000  1.0
  H  H21  1  0.50994000  0.17140000  0.50000000  1.0