data_[Ba1Zn2Cr1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [4.5804]
_cell_length_b [4.5804]
_cell_length_c [7.1160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [BaZn2CrH8]
_chemical_formula_sum '[Ba1 Zn2 Cr1 H8]'
_cell_volume [129.2899]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Zn  Zn1  2  0.3333  0.6667  0.8399  1.0
  Cr  Cr2  1  0.0000  0.0000  0.0000  1.0
  H  H3  6  0.0343  0.7201  0.1471  1.0
  H  H4  2  0.3333  0.6667  0.5936  1.0
]