# generated using pymatgen
data_Ca9Ho(Si3H)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01135325
_cell_length_b   9.01135311
_cell_length_c   9.00584505
_cell_angle_alpha   129.98629895
_cell_angle_beta   129.98629626
_cell_angle_gamma   73.50978851
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9Ho(Si3H)2
_chemical_formula_sum   'Ca9 Ho1 Si6 H2'
_cell_volume   418.81756424
_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  0.49635684  0.50297394  0.00023089  1.0
  Ca  Ca1  1  0.00297394  0.99635684  0.00023089  1.0
  Ca  Ca2  1  0.18060802  0.68060802  0.15948049  1.0
  Ca  Ca3  1  0.01804313  0.18155692  0.49873127  1.0
  Ca  Ca4  1  0.68155692  0.51804313  0.49873127  1.0
  Ca  Ca5  1  0.48077685  0.98077685  0.16750779  1.0
  Ca  Ca6  1  0.81551783  0.31551783  0.83576736  1.0
  Ca  Ca7  1  0.98053130  0.81658349  0.49869559  1.0
  Ca  Ca8  1  0.31658349  0.48053130  0.49869559  1.0
  Ho  Ho9  1  0.52439289  0.02439289  0.83832222  1.0
  Si  Si10  1  0.25836787  0.24289885  0.99435764  1.0
  Si  Si11  1  0.74289885  0.75836787  0.99435764  1.0
  Si  Si12  1  0.88181014  0.38181014  0.26621338  1.0
  Si  Si13  1  0.10722484  0.60722484  0.71564382  1.0
  Si  Si14  1  0.38826869  0.11169167  0.50826306  1.0
  Si  Si15  1  0.61169167  0.88826869  0.50826306  1.0
  H  H16  1  0.26176759  0.76176759  0.51240236  1.0
  H  H17  1  0.75063113  0.25063113  0.50410769  1.0