# generated using pymatgen
data_Ca9Ac(Si3H)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15805093
_cell_length_b   9.15805050
_cell_length_c   9.14278044
_cell_angle_alpha   130.14754038
_cell_angle_beta   130.14754614
_cell_angle_gamma   73.06443853
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9Ac(Si3H)2
_chemical_formula_sum   'Ca9 Ac1 Si6 H2'
_cell_volume   437.75822712
_cell_formula_units_Z   1
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  0.50413070  0.51154887  0.00097989  1.0
  Ca  Ca1  1  0.01154887  0.00413070  0.00097989  1.0
  Ca  Ca2  1  0.17984048  0.67984048  0.15686932  1.0
  Ca  Ca3  1  0.02438242  0.18698988  0.50673115  1.0
  Ca  Ca4  1  0.68698988  0.52438242  0.50673115  1.0
  Ca  Ca5  1  0.48092808  0.98092808  0.17318129  1.0
  Ca  Ca6  1  0.81547859  0.31547859  0.83333313  1.0
  Ca  Ca7  1  0.97599601  0.81310684  0.49319607  1.0
  Ca  Ca8  1  0.31310684  0.47599601  0.49319607  1.0
  Ac  Ac9  1  0.52887066  0.02887066  0.85735686  1.0
  Si  Si10  1  0.24147680  0.24720033  0.99616843  1.0
  Si  Si11  1  0.74720033  0.74147680  0.99616843  1.0
  Si  Si12  1  0.89025865  0.39025865  0.28335937  1.0
  Si  Si13  1  0.11411431  0.61411431  0.72484369  1.0
  Si  Si14  1  0.38807082  0.11174463  0.50097693  1.0
  Si  Si15  1  0.61174463  0.88807082  0.50097693  1.0
  H  H16  1  0.23906889  0.73906889  0.48459287  1.0
  H  H17  1  0.74679202  0.24679202  0.49036054  1.0