# generated using pymatgen
data_Ca9Sm(Si3H)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05425047
_cell_length_b   9.05425033
_cell_length_c   9.04862629
_cell_angle_alpha   130.06637691
_cell_angle_beta   130.06637443
_cell_angle_gamma   73.35214547
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9Sm(Si3H)2
_chemical_formula_sum   'Ca9 Sm1 Si6 H2'
_cell_volume   423.98637440
_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  0.49741355  0.50489189  0.00021810  1.0
  Ca  Ca1  1  0.00489189  0.99741355  0.00021810  1.0
  Ca  Ca2  1  0.18003886  0.68003886  0.15843280  1.0
  Ca  Ca3  1  0.01922963  0.18288903  0.50099923  1.0
  Ca  Ca4  1  0.68288903  0.51922963  0.50099923  1.0
  Ca  Ca5  1  0.48101582  0.98101582  0.16819736  1.0
  Ca  Ca6  1  0.81618537  0.31618537  0.83616756  1.0
  Ca  Ca7  1  0.97974698  0.81570329  0.49733157  1.0
  Ca  Ca8  1  0.31570329  0.47974698  0.49733157  1.0
  Sm  Sm9  1  0.52643336  0.02643336  0.84371786  1.0
  Si  Si10  1  0.25454579  0.24479253  0.99531924  1.0
  Si  Si11  1  0.74479253  0.75454579  0.99531924  1.0
  Si  Si12  1  0.88363907  0.38363907  0.27056185  1.0
  Si  Si13  1  0.10870786  0.60870786  0.71754477  1.0
  Si  Si14  1  0.38851553  0.11169091  0.50586319  1.0
  Si  Si15  1  0.61169091  0.88851553  0.50586319  1.0
  H  H16  1  0.25430283  0.75430283  0.50340994  1.0
  H  H17  1  0.75026167  0.25026167  0.50250720  1.0