# generated using pymatgen
data_LiHo6CoBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.00334001
_cell_length_b   9.00334091
_cell_length_c   9.00334081
_cell_angle_alpha   107.62105339
_cell_angle_beta   107.62105722
_cell_angle_gamma   107.62105882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHo6CoBr12
_chemical_formula_sum   'Li1 Ho6 Co1 Br12'
_cell_volume   597.19823041
_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  0.50000000  0.50000000  0.50000000  1.0
  Ho  Ho1  1  0.31563526  0.10931840  0.03353589  1.0
  Ho  Ho2  1  0.10931840  0.03353589  0.31563526  1.0
  Ho  Ho3  1  0.03353589  0.31563526  0.10931840  1.0
  Ho  Ho4  1  0.68436474  0.89068160  0.96646411  1.0
  Ho  Ho5  1  0.89068160  0.96646411  0.68436474  1.0
  Ho  Ho6  1  0.96646411  0.68436474  0.89068160  1.0
  Co  Co7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.22329439  0.07317473  0.68146399  1.0
  Br  Br9  1  0.07317473  0.68146399  0.22329439  1.0
  Br  Br10  1  0.68146399  0.22329439  0.07317473  1.0
  Br  Br11  1  0.77670561  0.92682527  0.31853601  1.0
  Br  Br12  1  0.92682527  0.31853601  0.77670561  1.0
  Br  Br13  1  0.31853601  0.77670561  0.92682527  1.0
  Br  Br14  1  0.38399249  0.46265703  0.16457339  1.0
  Br  Br15  1  0.46265703  0.16457339  0.38399249  1.0
  Br  Br16  1  0.16457339  0.38399249  0.46265703  1.0
  Br  Br17  1  0.61600751  0.53734297  0.83542661  1.0
  Br  Br18  1  0.53734297  0.83542661  0.61600751  1.0
  Br  Br19  1  0.83542661  0.61600751  0.53734297  1.0