# generated using pymatgen
data_Ca9Ho(Sn3H)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.39536091
_cell_length_b   9.39536043
_cell_length_c   9.40548037
_cell_angle_alpha   128.69677223
_cell_angle_beta   128.69676935
_cell_angle_gamma   75.50602768
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9Ho(Sn3H)2
_chemical_formula_sum   'Ca9 Ho1 Sn6 H2'
_cell_volume   492.07049783
_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  0.49814166  0.50213677  0.00090909  1.0
  Ca  Ca1  1  0.00213677  0.99814166  0.00090909  1.0
  Ca  Ca2  1  0.18555495  0.68555495  0.17314924  1.0
  Ca  Ca3  1  0.00896790  0.18527390  0.49800308  1.0
  Ca  Ca4  1  0.68527390  0.50896790  0.49800308  1.0
  Ca  Ca5  1  0.48865177  0.98865177  0.17879288  1.0
  Ca  Ca6  1  0.81158496  0.31158496  0.82298219  1.0
  Ca  Ca7  1  0.98701109  0.81250455  0.49827007  1.0
  Ca  Ca8  1  0.31250455  0.48701109  0.49827007  1.0
  Ho  Ho9  1  0.51543124  0.01543124  0.82434791  1.0
  Sn  Sn10  1  0.25620681  0.24337817  0.99416179  1.0
  Sn  Sn11  1  0.74337817  0.75620681  0.99416179  1.0
  Sn  Sn12  1  0.86940290  0.36940290  0.23977827  1.0
  Sn  Sn13  1  0.12327252  0.62327252  0.74785444  1.0
  Sn  Sn14  1  0.37240801  0.12586507  0.50566126  1.0
  Sn  Sn15  1  0.62586507  0.87240801  0.50566126  1.0
  H  H16  1  0.26438034  0.76438034  0.51625779  1.0
  H  H17  1  0.74982739  0.24982739  0.50282771  1.0