# generated using pymatgen
data_Ca(BH)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59271800
_cell_length_b   3.36142771
_cell_length_c   16.62327136
_cell_angle_alpha   85.74726851
_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   200.20088215
_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  0.48847900  0.77453200  0.38564600  1.0
  Ca  Ca1  1  0.98847900  0.22546800  0.11435400  1.0
  Ca  Ca2  1  0.51152100  0.22546800  0.61435400  1.0
  Ca  Ca3  1  0.01152100  0.77453200  0.88564600  1.0
  B  B4  1  0.99836200  0.74923800  0.50616200  1.0
  B  B5  1  0.49836200  0.25076200  0.99383800  1.0
  B  B6  1  0.00163800  0.25076200  0.49383800  1.0
  B  B7  1  0.50163800  0.74923800  0.00616200  1.0
  B  B8  1  0.53237300  0.88802300  0.75307400  1.0
  B  B9  1  0.03237300  0.11197700  0.74692600  1.0
  B  B10  1  0.46762700  0.11197700  0.24692600  1.0
  B  B11  1  0.96762700  0.88802300  0.25307400  1.0
  H  H12  1  0.53953600  0.68466200  0.69353300  1.0
  H  H13  1  0.03953600  0.31533800  0.80646700  1.0
  H  H14  1  0.46046400  0.31533800  0.30646700  1.0
  H  H15  1  0.96046400  0.68466200  0.19353300  1.0
  H  H16  1  0.02492600  0.36798200  0.68948600  1.0
  H  H17  1  0.52492600  0.63201800  0.81051400  1.0
  H  H18  1  0.97507400  0.63201800  0.31051400  1.0
  H  H19  1  0.47507400  0.36798200  0.18948600  1.0