# generated using pymatgen
data_Mg(BC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76529629
_cell_length_b   4.61477370
_cell_length_c   7.17887141
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(BC)2
_chemical_formula_sum   'Mg2 B4 C4'
_cell_volume   91.61113295
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.50000000  0.50000000  0.50000000  1.0
  Mg  Mg1  1  -0.00000000  -0.00000000  -0.00000000  1.0
  B  B2  1  0.50000000  0.88345094  0.72962569  1.0
  B  B3  1  0.50000000  0.11654906  0.27037431  1.0
  B  B4  1  -0.00000000  0.61654906  0.22962569  1.0
  B  B5  1  -0.00000000  0.38345094  0.77037431  1.0
  C  C6  1  0.50000000  0.78547600  0.22034042  1.0
  C  C7  1  0.50000000  0.21452400  0.77965958  1.0
  C  C8  1  -0.00000000  0.71452400  0.72034042  1.0
  C  C9  1  -0.00000000  0.28547600  0.27965958  1.0