# generated using pymatgen
data_Ca(BH)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23341200
_cell_length_b   5.32075900
_cell_length_c   11.11428800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(BH)2
_chemical_formula_sum   'Ca4 B8 H8'
_cell_volume   191.21250029
_cell_formula_units_Z   4
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  0.98116200  0.25000000  0.84921400  1.0
  Ca  Ca1  1  0.01883800  0.75000000  0.15078600  1.0
  Ca  Ca2  1  0.51883800  0.25000000  0.34921400  1.0
  Ca  Ca3  1  0.48116200  0.75000000  0.65078600  1.0
  B  B4  1  0.51680200  0.25000000  0.10731300  1.0
  B  B5  1  0.98319800  0.25000000  0.60731300  1.0
  B  B6  1  0.48382400  0.25000000  0.65626800  1.0
  B  B7  1  0.51617600  0.75000000  0.34373200  1.0
  B  B8  1  0.48319800  0.75000000  0.89268700  1.0
  B  B9  1  0.98382400  0.75000000  0.84373200  1.0
  B  B10  1  0.01617600  0.25000000  0.15626800  1.0
  B  B11  1  0.01680200  0.75000000  0.39268700  1.0
  H  H12  1  0.09975700  0.75000000  0.95131700  1.0
  H  H13  1  0.90024300  0.25000000  0.04868300  1.0
  H  H14  1  0.00000000  0.50000000  0.50000000  1.0
  H  H15  1  0.59975700  0.25000000  0.54868300  1.0
  H  H16  1  0.50000000  0.00000000  0.00000000  1.0
  H  H17  1  0.40024300  0.75000000  0.45131700  1.0
  H  H18  1  0.00000000  0.00000000  0.50000000  1.0
  H  H19  1  0.50000000  0.50000000  0.00000000  1.0