# generated using pymatgen
data_LiHo(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94131625
_cell_length_b   8.94131625
_cell_length_c   9.65152282
_cell_angle_alpha   57.37895861
_cell_angle_beta   57.37895861
_cell_angle_gamma   46.90999463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHo(PO3)4
_chemical_formula_sum   'Li2 Ho2 P8 O24'
_cell_volume   455.93759366
_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  0.29376900  0.70623100  0.25000000  1
  Li  Li1  1  0.70623100  0.29376900  0.75000000  1
  Ho  Ho2  1  0.79696200  0.20303800  0.25000000  1
  Ho  Ho3  1  0.20303800  0.79696200  0.75000000  1
  P  P4  1  0.68784400  0.58592700  0.38395700  1
  P  P5  1  0.70457900  0.00406600  0.69397400  1
  P  P6  1  0.99593400  0.29542100  0.80602600  1
  P  P7  1  0.00406600  0.70457900  0.19397400  1
  P  P8  1  0.58592700  0.68784400  0.88395700  1
  P  P9  1  0.31215600  0.41407300  0.61604300  1
  P  P10  1  0.41407300  0.31215600  0.11604300  1
  P  P11  1  0.29542100  0.99593400  0.30602600  1
  O  O12  1  0.52912600  0.78316000  0.26589400  1
  O  O13  1  0.43680900  0.43140700  0.92818800  1
  O  O14  1  0.01081800  0.84653200  0.22596500  1
  O  O15  1  0.78316000  0.52912600  0.76589400  1
  O  O16  1  0.82437100  0.39887000  0.31587600  1
  O  O17  1  0.24291800  0.00864200  0.47675200  1
  O  O18  1  0.99135800  0.75708200  0.02324800  1
  O  O19  1  0.39887000  0.82437100  0.81587600  1
  O  O20  1  0.60113000  0.17562900  0.18412400  1
  O  O21  1  0.98918200  0.15346800  0.77403500  1
  O  O22  1  0.82358300  0.66654100  0.34911400  1
  O  O23  1  0.21684000  0.47087400  0.23410600  1
  O  O24  1  0.56859300  0.56319100  0.57181200  1
  O  O25  1  0.15346800  0.98918200  0.27403500  1
  O  O26  1  0.00864200  0.24291800  0.97675200  1
  O  O27  1  0.17562900  0.60113000  0.68412400  1
  O  O28  1  0.56319100  0.56859300  0.07181200  1
  O  O29  1  0.17641700  0.33345900  0.65088600  1
  O  O30  1  0.84653200  0.01081800  0.72596500  1
  O  O31  1  0.33345900  0.17641700  0.15088600  1
  O  O32  1  0.66654100  0.82358300  0.84911400  1
  O  O33  1  0.43140700  0.43680900  0.42818800  1
  O  O34  1  0.75708200  0.99135800  0.52324800  1
  O  O35  1  0.47087400  0.21684000  0.73410600  1
