data_LiBeIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.2
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   103.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeIn2
_chemical_formula_sum   'Li1 Be1 In2'
_cell_volume   78.21
_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  Li3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.91  0.0  0.88  1.0
  In  In1  1  0.14  0.1  0.24  1.0
  In  In2  1  0.67  0.1  0.52  1.0

data_LiBeIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.2
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   103.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeIn2
_chemical_formula_sum   'Li1 Be1 In2'
_cell_volume   78.21
_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  0.0  0.0  0.0  1.0
  Be  Be1  1  0.91  0.0  0.88  1.0
  In  In2  1  0.14  0.1  0.24  1.0
  In  In3  1  0.67  0.1  0.52  1.0

Li Be In In
Li Be In In 0 1 - o - 0 2 o o o 1 3 o o o 2 3 o o o 2 3 - o o 