data_[Cs3Ca3Sb3H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3291]
_cell_length_b [5.3291]
_cell_length_c [19.5736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CsCaSbH2]
_chemical_formula_sum '[Cs3 Ca3 Sb3 H6]'
_cell_volume [481.4072]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  3  0.0000  0.0000  0.0858  1
  Ca  Ca1  3  0.0000  0.0000  0.5689  1
  Sb  Sb2  3  0.0000  0.0000  0.8794  1
  H  H3  3  0.0000  0.0000  0.3436  1
  H  H4  3  0.0000  0.0000  0.3825  1
]