data_[Li1Ge1B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.1483]
_cell_length_b [3.4694]
_cell_length_c [5.1110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiGeB2]
_chemical_formula_sum '[Li1 Ge1 B2]'
_cell_volume [55.1563]
_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  0.7788  0.0000  0.4048  1
  Ge  Ge1  1  0.3546  0.5000  0.7228  1
  B  B2  1  0.1891  0.0000  0.0016  1
  B  B3  1  0.6728  0.0000  0.9585  1
]