# generated using pymatgen
data_LiHfMg30O31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56694800
_cell_length_b   8.56694800
_cell_length_c   8.56846100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfMg30O31
_chemical_formula_sum   'Li1 Hf1 Mg30 O31'
_cell_volume   628.86161395
_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
  Li  Li0  1  0.00000000  0.00000000  0.99377400  1
  Hf  Hf1  1  0.50000000  0.50000000  0.99990500  1
  Mg  Mg2  1  0.00000000  0.50000000  0.99962100  1
  Mg  Mg3  1  0.50000000  0.00000000  0.99962100  1
  Mg  Mg4  1  0.00000000  0.00000000  0.49996400  1
  Mg  Mg5  1  0.00000000  0.50000000  0.50075600  1
  Mg  Mg6  1  0.50000000  0.00000000  0.50075600  1
  Mg  Mg7  1  0.50000000  0.50000000  0.50016500  1
  Mg  Mg8  1  0.24043500  0.24043500  0.00025500  1
  Mg  Mg9  1  0.24043500  0.75956500  0.00025500  1
  Mg  Mg10  1  0.75956500  0.24043500  0.00025500  1
  Mg  Mg11  1  0.75956500  0.75956500  0.00025500  1
  Mg  Mg12  1  0.24817200  0.24817200  0.50012800  1
  Mg  Mg13  1  0.24817200  0.75182800  0.50012800  1
  Mg  Mg14  1  0.75182800  0.24817200  0.50012800  1
  Mg  Mg15  1  0.75182800  0.75182800  0.50012800  1
  Mg  Mg16  1  0.00000000  0.24827900  0.24865400  1
  Mg  Mg17  1  0.00000000  0.75172100  0.24865400  1
  Mg  Mg18  1  0.50000000  0.24484600  0.25506300  1
  Mg  Mg19  1  0.50000000  0.75515400  0.25506300  1
  Mg  Mg20  1  0.00000000  0.24623000  0.75189600  1
  Mg  Mg21  1  0.00000000  0.75377000  0.75189600  1
  Mg  Mg22  1  0.50000000  0.24434500  0.74513800  1
  Mg  Mg23  1  0.50000000  0.75565500  0.74513800  1
  Mg  Mg24  1  0.24827900  0.00000000  0.24865400  1
  Mg  Mg25  1  0.24484600  0.50000000  0.25506300  1
  Mg  Mg26  1  0.75172100  0.00000000  0.24865400  1
  Mg  Mg27  1  0.75515400  0.50000000  0.25506300  1
  Mg  Mg28  1  0.24623000  0.00000000  0.75189600  1
  Mg  Mg29  1  0.24434500  0.50000000  0.74513800  1
  Mg  Mg30  1  0.75377000  0.00000000  0.75189600  1
  Mg  Mg31  1  0.75565500  0.50000000  0.74513800  1
  O  O32  1  0.00000000  0.50000000  0.25088200  1
  O  O33  1  0.50000000  0.00000000  0.25088200  1
  O  O34  1  0.50000000  0.50000000  0.25269400  1
  O  O35  1  0.00000000  0.00000000  0.74396200  1
  O  O36  1  0.00000000  0.50000000  0.74966400  1
  O  O37  1  0.50000000  0.00000000  0.74966400  1
  O  O38  1  0.50000000  0.50000000  0.74736000  1
  O  O39  1  0.25183900  0.25183900  0.24938000  1
  O  O40  1  0.25183900  0.74816100  0.24938000  1
  O  O41  1  0.74816100  0.25183900  0.24938000  1
  O  O42  1  0.74816100  0.74816100  0.24938000  1
  O  O43  1  0.25078100  0.25078100  0.75092800  1
  O  O44  1  0.25078100  0.74921900  0.75092800  1
  O  O45  1  0.74921900  0.25078100  0.75092800  1
  O  O46  1  0.74921900  0.74921900  0.75092800  1
  O  O47  1  0.00000000  0.25798500  0.99980300  1
  O  O48  1  0.00000000  0.74201500  0.99980300  1
  O  O49  1  0.50000000  0.25154900  0.00003400  1
  O  O50  1  0.50000000  0.74845100  0.00003400  1
  O  O51  1  0.00000000  0.25284700  0.50115100  1
  O  O52  1  0.00000000  0.74715300  0.50115100  1
  O  O53  1  0.50000000  0.25073600  0.50015200  1
  O  O54  1  0.50000000  0.74926400  0.50015200  1
  O  O55  1  0.25798500  0.00000000  0.99980300  1
  O  O56  1  0.25154900  0.50000000  0.00003400  1
  O  O57  1  0.74201500  0.00000000  0.99980300  1
  O  O58  1  0.74845100  0.50000000  0.00003400  1
  O  O59  1  0.25284700  0.00000000  0.50115100  1
  O  O60  1  0.25073600  0.50000000  0.50015200  1
  O  O61  1  0.74715300  0.00000000  0.50115100  1
  O  O62  1  0.74926400  0.50000000  0.50015200  1
