data_LiBeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   4.19
_cell_angle_alpha   100.41
_cell_angle_beta   100.41
_cell_angle_gamma   33.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeCo2
_chemical_formula_sum   'Li1 Be1 Co2'
_cell_volume   41.08
_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  0.72  0.0  0.11  1.0
  Be  Be0  1  0.55  0.0  0.09  1.0
  Co  Co1  1  0.13  0.0  0.03  1.0
  Co  Co2  1  0.88  0.0  0.93  1.0

data_LiBeCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.44
_cell_length_b   4.19
_cell_length_c   4.27
_cell_angle_alpha   100.41
_cell_angle_beta   106.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeCo2
_chemical_formula_sum   'Li1 Be1 Co2'
_cell_volume   41.08
_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  0.11  0.72  1.0
  Be  Be1  1  0.0  0.09  0.55  1.0
  Co  Co2  1  0.0  0.03  0.13  1.0
  Co  Co3  1  0.0  0.93  0.88  1.0

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