[CIF]
data_Li2CaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18492477
_cell_length_b   3.18492477
_cell_length_c   7.12110224
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaB
_chemical_formula_sum   'Li2 Ca1 B1'
_cell_volume   72.23465087
_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
  B  B0  1  0.00000000  0.00000000  3.17275391  1
  Ca  Ca1  1  1.59246238  1.59246238  4.83262986  1
  Li  Li2  1  0.00000000  0.00000000  0.56667538  1
  Li  Li3  1  1.59246238  1.59246238  2.10959428  1
[/CIF]
