# generated using pymatgen
data_MgB2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30901000
_cell_length_b   7.30901000
_cell_length_c   8.72019100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgB2O7
_chemical_formula_sum   'Mg4 B8 O28'
_cell_volume   465.84679254
_cell_formula_units_Z   4
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  0.75000000  0.75000000  0.25000000  1.0
  Mg  Mg1  1  0.25000000  0.25000000  0.25000000  1.0
  Mg  Mg2  1  0.25000000  0.75000000  0.75000000  1.0
  Mg  Mg3  1  0.75000000  0.25000000  0.75000000  1.0
  B  B4  1  0.86691100  0.63280500  0.89234800  1.0
  B  B5  1  0.13308900  0.36719500  0.89234800  1.0
  B  B6  1  0.13280500  0.63308900  0.39234800  1.0
  B  B7  1  0.86719500  0.36691100  0.39234800  1.0
  B  B8  1  0.63308900  0.86719500  0.60765200  1.0
  B  B9  1  0.36691100  0.13280500  0.60765200  1.0
  B  B10  1  0.36719500  0.86691100  0.10765200  1.0
  B  B11  1  0.63280500  0.13308900  0.10765200  1.0
  O  O12  1  0.50000000  0.00000000  0.03870500  1.0
  O  O13  1  0.50000000  0.00000000  0.53870500  1.0
  O  O14  1  0.00000000  0.50000000  0.46129500  1.0
  O  O15  1  0.00000000  0.50000000  0.96129500  1.0
  O  O16  1  0.76711300  0.70283100  0.01927500  1.0
  O  O17  1  0.23288700  0.29716900  0.01927500  1.0
  O  O18  1  0.20283100  0.73288700  0.51927500  1.0
  O  O19  1  0.79716900  0.26711300  0.51927500  1.0
  O  O20  1  0.73288700  0.79716900  0.48072500  1.0
  O  O21  1  0.26711300  0.20283100  0.48072500  1.0
  O  O22  1  0.29716900  0.76711300  0.98072500  1.0
  O  O23  1  0.70283100  0.23288700  0.98072500  1.0
  O  O24  1  0.76263700  0.53405800  0.77887000  1.0
  O  O25  1  0.23736300  0.46594200  0.77887000  1.0
  O  O26  1  0.03405800  0.73736300  0.27887000  1.0
  O  O27  1  0.96594200  0.26263700  0.27887000  1.0
  O  O28  1  0.73736300  0.96594200  0.72113000  1.0
  O  O29  1  0.26263700  0.03405800  0.72113000  1.0
  O  O30  1  0.46594200  0.76263700  0.22113000  1.0
  O  O31  1  0.53405800  0.23736300  0.22113000  1.0
  O  O32  1  0.97254500  0.76504900  0.80767200  1.0
  O  O33  1  0.02745500  0.23495100  0.80767200  1.0
  O  O34  1  0.26504900  0.52745500  0.30767200  1.0
  O  O35  1  0.73495100  0.47254500  0.30767200  1.0
  O  O36  1  0.52745500  0.73495100  0.69232800  1.0
  O  O37  1  0.47254500  0.26504900  0.69232800  1.0
  O  O38  1  0.23495100  0.97254500  0.19232800  1.0
  O  O39  1  0.76504900  0.02745500  0.19232800  1.0