# generated using pymatgen
data_CsMg6B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.49360525
_cell_length_b   8.49360525
_cell_length_c   3.48803600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.03839806
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsMg6B
_chemical_formula_sum   'Cs1 Mg6 B1'
_cell_volume   233.24549204
_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
  Cs  Cs0  1  0.82958600  0.17041400  0.50000000  1.0
  Mg  Mg1  1  0.29859900  0.16730000  0.50000000  1.0
  Mg  Mg2  1  0.83270000  0.70140100  0.50000000  1.0
  Mg  Mg3  1  0.25522800  0.45974100  0.00000000  1.0
  Mg  Mg4  1  0.54025900  0.74477200  0.00000000  1.0
  Mg  Mg5  1  0.58486100  0.41513900  0.00000000  1.0
  Mg  Mg6  1  0.18287400  0.81712600  0.00000000  1.0
  B  B7  1  0.47589600  0.52410400  0.50000000  1.0