data_[Ca6Zn6Sb6H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3895]
_cell_length_b [4.3895]
_cell_length_c [30.6271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CaZnSbH]
_chemical_formula_sum '[Ca6 Zn6 Sb6 H6]'
_cell_volume [511.0645]
_cell_formula_units_Z [6]
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  3  -0.0000  -0.0000  0.5000  1.0
  Ca  Ca1  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  6  0.0000  0.0000  0.2401  1.0
  Sb  Sb3  6  0.0000  0.0000  0.3978  1.0
  H  H4  6  0.0000  0.0000  0.1843  1.0
]