data_[Cs1Ba1Cr1H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.6938]
_cell_length_b [5.6938]
_cell_length_c [5.3700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CsBaCrH6]
_chemical_formula_sum '[Cs1 Ba1 Cr1 H6]'
_cell_volume [150.7689]
_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
[
  Cs  Cs0  1  0.3333  0.6667  0.8840  1.0
  Ba  Ba1  1  0.0000  0.0000  0.3512  1.0
  Cr  Cr2  1  0.6667  0.3333  0.5422  1.0
  H  H3  3  0.3633  0.1816  0.7157  1.0
  H  H4  3  0.5207  0.0413  0.3586  1.0
]