data_[Ba1Mn1Zn1H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6779]
_cell_length_b [4.6779]
_cell_length_c [5.1375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [BaMnZnH6]
_chemical_formula_sum '[Ba1 Mn1 Zn1 H6]'
_cell_volume [97.3619]
_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  0.3333  0.6667  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  1  0.6667  0.3333  0.0000  1.0
  H  H3  6  0.3026  0.1513  0.2220  1.0
]