data_[Ba2Sn2As2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [5.0361]
_cell_length_b [5.0361]
_cell_length_c [10.3645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [BaSnAsH]
_chemical_formula_sum '[Ba2 Sn2 As2 H2]'
_cell_volume [227.6515]
_cell_formula_units_Z [2]
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  2  0.3333  0.6667  0.0973  1.0
  Sn  Sn1  2  0.0000  0.0000  0.3121  1.0
  As  As2  2  0.3333  0.6667  0.7854  1.0
  H  H3  2  0.0000  0.0000  0.4930  1.0
]