data_[Li1Tm1Be2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [4.3944]
_cell_length_b [4.3944]
_cell_length_c [6.3540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [LiTm(BeH4)2]
_chemical_formula_sum '[Li1 Tm1 Be2 H8]'
_cell_volume [106.2605]
_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
[
  Li  Li0  1  0.0000  0.0000  0.5000  1.0
  Tm  Tm1  1  0.0000  0.0000  0.0000  1.0
  Be  Be2  2  0.3333  0.6667  0.2242  1.0
  H  H3  6  0.0886  0.7670  0.2800  1.0
  H  H4  2  0.3333  0.6667  0.9939  1.0
]