# generated using pymatgen
data_Li4Be3P3BrO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17234600
_cell_length_b   8.17234600
_cell_length_c   8.17234600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Be3P3BrO12
_chemical_formula_sum   'Li8 Be6 P6 Br2 O24'
_cell_volume   545.80842667
_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
  Li  Li0  1  0.81658400  0.81658400  0.18341600  1
  Li  Li1  1  0.68341600  0.68341600  0.68341600  1
  Li  Li2  1  0.68341600  0.31658400  0.31658400  1
  Li  Li3  1  0.18341600  0.81658400  0.81658400  1
  Li  Li4  1  0.81658400  0.18341600  0.81658400  1
  Li  Li5  1  0.31658400  0.31658400  0.68341600  1
  Li  Li6  1  0.18341600  0.18341600  0.18341600  1
  Li  Li7  1  0.31658400  0.68341600  0.31658400  1
  Be  Be8  1  0.50000000  0.75000000  0.00000000  1
  Be  Be9  1  0.00000000  0.50000000  0.25000000  1
  Be  Be10  1  0.25000000  0.00000000  0.50000000  1
  Be  Be11  1  0.50000000  0.25000000  0.00000000  1
  Be  Be12  1  0.00000000  0.50000000  0.75000000  1
  Be  Be13  1  0.75000000  0.00000000  0.50000000  1
  P  P14  1  0.50000000  0.00000000  0.25000000  1
  P  P15  1  0.00000000  0.25000000  0.50000000  1
  P  P16  1  0.25000000  0.50000000  0.00000000  1
  P  P17  1  0.00000000  0.75000000  0.50000000  1
  P  P18  1  0.50000000  0.00000000  0.75000000  1
  P  P19  1  0.75000000  0.50000000  0.00000000  1
  Br  Br20  1  0.00000000  0.00000000  0.00000000  1
  Br  Br21  1  0.50000000  0.50000000  0.50000000  1
  O  O22  1  0.07886200  0.35488600  0.63695200  1
  O  O23  1  0.85488600  0.42113800  0.86304800  1
  O  O24  1  0.13695200  0.14511400  0.42113800  1
  O  O25  1  0.57886200  0.13695200  0.85488600  1
  O  O26  1  0.63695200  0.92113800  0.64511400  1
  O  O27  1  0.92113800  0.35488600  0.36304800  1
  O  O28  1  0.86304800  0.14511400  0.57886200  1
  O  O29  1  0.42113800  0.13695200  0.14511400  1
  O  O30  1  0.35488600  0.36304800  0.92113800  1
  O  O31  1  0.35488600  0.63695200  0.07886200  1
  O  O32  1  0.36304800  0.92113800  0.35488600  1
  O  O33  1  0.42113800  0.86304800  0.85488600  1
  O  O34  1  0.14511400  0.42113800  0.13695200  1
  O  O35  1  0.07886200  0.64511400  0.36304800  1
  O  O36  1  0.86304800  0.85488600  0.42113800  1
  O  O37  1  0.64511400  0.36304800  0.07886200  1
  O  O38  1  0.36304800  0.07886200  0.64511400  1
  O  O39  1  0.13695200  0.85488600  0.57886200  1
  O  O40  1  0.57886200  0.86304800  0.14511400  1
  O  O41  1  0.63695200  0.07886200  0.35488600  1
  O  O42  1  0.64511400  0.63695200  0.92113800  1
  O  O43  1  0.92113800  0.64511400  0.63695200  1
  O  O44  1  0.85488600  0.57886200  0.13695200  1
  O  O45  1  0.14511400  0.57886200  0.86304800  1
