data_YbH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbH2
_chemical_formula_sum   'Yb2 H4'
_cell_volume   60.59
_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
  Yb  Yb4  1  0.0  0.17  0.73  1.0
  Yb  Yb5  1  0.88  0.08  0.24  1.0
  H  H0  1  0.0  0.17  0.24  1.0
  H  H1  1  0.0  0.0  0.49  1.0
  H  H2  1  0.0  0.0  0.0  1.0
  H  H3  1  0.88  0.08  0.73  1.0

data_YbH2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbH2
_chemical_formula_sum   'Yb2 H4'
_cell_volume   60.59
_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
  Yb  Yb0  1  -0.0  0.17  0.73  1.0
  Yb  Yb1  1  0.88  0.08  0.24  1.0
  H  H2  1  -0.0  0.17  0.24  1.0
  H  H3  1  0.0  0.0  0.0  1.0
  H  H4  1  0.0  0.0  0.49  1.0
  H  H5  1  0.88  0.08  0.73  1.0

Yb Yb H H H H
Yb Yb H H H H 0 5 - o o 0 3 o o o 0 4 o o + 1 2 + o o 1 3 + o o 1 4 + o o 2 3 o o o 2 4 o o o 3 5 - o o 4 5 - o - 