data_[Yb2H3Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8062]
_cell_length_b [3.8062]
_cell_length_c [6.4205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Yb2H3Cl]
_chemical_formula_sum '[Yb2 H3 Cl1]'
_cell_volume [80.5555]
_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
[
  Yb  Yb0  2  0.3333  0.6667  0.1964  1.0
  H  H1  2  0.3333  0.6667  0.8455  1.0
  H  H2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  1  0.0000  0.0000  0.5000  1.0
]