[CIF]
data_NaCaB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72229861
_cell_length_b   4.72229861
_cell_length_c   4.72229861
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaB4
_chemical_formula_sum   'Na1 Ca1 B4'
_cell_volume   74.46382477
_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  2.72963312  3.94870562  2.72963312  1
  B  B1  1  3.94870562  2.72963312  2.72963312  1
  B  B2  1  3.94870562  3.94870562  3.94870562  1
  B  B3  1  2.72963312  2.72963312  3.94870562  1
  Ca  Ca4  1  1.66958469  1.66958469  1.66958469  1
  Na  Na5  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
