# generated using pymatgen
data_Mg3BO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.10028612
_cell_length_b   9.10028612
_cell_length_c   3.20619100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3BO6
_chemical_formula_sum   'Mg6 B2 O12'
_cell_volume   229.94825221
_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  0.66385500  0.63059200  0.75000000  1.0
  Mg  Mg1  1  0.96673700  0.33614500  0.75000000  1.0
  Mg  Mg2  1  0.36940800  0.03326300  0.75000000  1.0
  Mg  Mg3  1  0.33614500  0.36940800  0.25000000  1.0
  Mg  Mg4  1  0.03326300  0.66385500  0.25000000  1.0
  Mg  Mg5  1  0.63059200  0.96673700  0.25000000  1.0
  B  B6  1  0.66666700  0.33333300  0.25000000  1.0
  B  B7  1  0.33333300  0.66666700  0.75000000  1.0
  O  O8  1  0.90638800  0.68410400  0.75000000  1.0
  O  O9  1  0.77771600  0.09361200  0.75000000  1.0
  O  O10  1  0.31589600  0.22228400  0.75000000  1.0
  O  O11  1  0.09361200  0.31589600  0.25000000  1.0
  O  O12  1  0.22228400  0.90638800  0.25000000  1.0
  O  O13  1  0.68410400  0.77771600  0.25000000  1.0
  O  O14  1  0.59648600  0.43898800  0.25000000  1.0
  O  O15  1  0.84250200  0.40351400  0.25000000  1.0
  O  O16  1  0.56101200  0.15749800  0.25000000  1.0
  O  O17  1  0.40351400  0.56101200  0.75000000  1.0
  O  O18  1  0.15749800  0.59648600  0.75000000  1.0
  O  O19  1  0.43898800  0.84250200  0.75000000  1.0