[CIF]
data_CaMgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42048640
_cell_length_b   3.42048640
_cell_length_c   7.53412469
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.18696680
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgB2
_chemical_formula_sum   'Ca1 Mg1 B2'
_cell_volume   72.91610835
_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  1.60089137  0.00000000  6.82307623  1
  B  B1  1  0.00000000  0.00000000  6.46943059  1
  Ca  Ca2  1  1.60089137  0.00000000  4.25193661  1
  Mg  Mg3  1  0.00000000  0.00000000  1.29086829  1
[/CIF]
