# generated using pymatgen
data_Ca(BH)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.16961100
_cell_length_b   3.27267600
_cell_length_c   3.53284200
_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   198.51241930
_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  0.61367600  0.25000000  0.42160300  1.0
  Ca  Ca1  1  0.11367600  0.25000000  0.07839700  1.0
  Ca  Ca2  1  0.38632400  0.75000000  0.57839700  1.0
  Ca  Ca3  1  0.88632400  0.75000000  0.92160300  1.0
  B  B4  1  0.48925500  0.25000000  0.93999600  1.0
  B  B5  1  0.98925500  0.25000000  0.56000400  1.0
  B  B6  1  0.51074500  0.75000000  0.06000400  1.0
  B  B7  1  0.01074500  0.75000000  0.43999600  1.0
  B  B8  1  0.25770400  0.25000000  0.37270000  1.0
  B  B9  1  0.75770400  0.25000000  0.12730000  1.0
  B  B10  1  0.74229600  0.75000000  0.62730000  1.0
  B  B11  1  0.24229600  0.75000000  0.87270000  1.0
  H  H12  1  0.82834300  0.25000000  0.19781500  1.0
  H  H13  1  0.32834300  0.25000000  0.30218500  1.0
  H  H14  1  0.17165700  0.75000000  0.80218500  1.0
  H  H15  1  0.67165700  0.75000000  0.69781500  1.0
  H  H16  1  0.46342300  0.25000000  0.61726600  1.0
  H  H17  1  0.96342300  0.25000000  0.88273400  1.0
  H  H18  1  0.53657700  0.75000000  0.38273400  1.0
  H  H19  1  0.03657700  0.75000000  0.11726600  1.0