data_[Ca4Si8H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2314]
_cell_length_b [3.8483]
_cell_length_c [6.6364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaSi2H]
_chemical_formula_sum '[Ca4 Si8 H4]'
_cell_volume [283.1890]
_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  2  0.3051  0.5000  0.0921  1.0
  Ca  Ca1  2  0.3285  0.0000  0.6476  1.0
  Si  Si2  2  0.0185  0.5000  0.3553  1.0
  Si  Si3  2  0.0359  0.0000  0.8404  1.0
  Si  Si4  2  0.0904  0.0000  0.2022  1.0
  Si  Si5  2  0.1220  0.5000  0.7007  1.0
  H  H6  2  0.2331  0.0000  0.2707  1.0
  H  H7  2  0.3437  0.0000  0.9724  1.0
]