# generated using pymatgen
data_Li3Fe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91462800
_cell_length_b   5.19323700
_cell_length_c   11.04087800
_cell_angle_alpha   62.98604267
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe(BO3)2
_chemical_formula_sum   'Li12 Fe4 B8 O24'
_cell_volume   455.37789120
_cell_formula_units_Z   4
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  0.97604700  0.51037500  0.33268200  1
  Li  Li1  1  0.65812400  0.45047800  0.38028100  1
  Li  Li2  1  0.98794200  0.92524400  0.89866300  1
  Li  Li3  1  0.15812400  0.54952200  0.11971900  1
  Li  Li4  1  0.48794200  0.07475600  0.60133700  1
  Li  Li5  1  0.47604700  0.48962500  0.16731800  1
  Li  Li6  1  0.52395300  0.51037500  0.83268200  1
  Li  Li7  1  0.51205800  0.92524400  0.39866300  1
  Li  Li8  1  0.84187600  0.45047800  0.88028100  1
  Li  Li9  1  0.01205800  0.07475600  0.10133700  1
  Li  Li10  1  0.34187600  0.54952200  0.61971900  1
  Li  Li11  1  0.02395300  0.48962500  0.66731800  1
  Fe  Fe12  1  0.32684200  0.97280000  0.87647800  1
  Fe  Fe13  1  0.82684200  0.02720000  0.62352200  1
  Fe  Fe14  1  0.17315800  0.97280000  0.37647800  1
  Fe  Fe15  1  0.67315800  0.02720000  0.12352200  1
  B  B16  1  0.32333800  0.45301400  0.37954000  1
  B  B17  1  0.66441600  0.96637100  0.87009700  1
  B  B18  1  0.82333800  0.54698600  0.12046000  1
  B  B19  1  0.16441600  0.03362900  0.62990300  1
  B  B20  1  0.83558400  0.96637100  0.37009700  1
  B  B21  1  0.17666200  0.45301400  0.87954000  1
  B  B22  1  0.33558400  0.03362900  0.12990300  1
  B  B23  1  0.67666200  0.54698600  0.62046000  1
  O  O24  1  0.32789800  0.82426100  0.08368000  1
  O  O25  1  0.66770900  0.31009600  0.59271500  1
  O  O26  1  0.95033000  0.69661100  0.11966000  1
  O  O27  1  0.02656000  0.14816900  0.63947200  1
  O  O28  1  0.29294800  0.12918500  0.66902200  1
  O  O29  1  0.68281000  0.62735900  0.14958000  1
  O  O30  1  0.18281000  0.37264100  0.35042000  1
  O  O31  1  0.79294800  0.87081500  0.83097800  1
  O  O32  1  0.52656000  0.85183100  0.86052800  1
  O  O33  1  0.45033000  0.30338900  0.38034000  1
  O  O34  1  0.82789800  0.17573900  0.41632000  1
  O  O35  1  0.16770900  0.68990400  0.90728500  1
  O  O36  1  0.83229100  0.31009600  0.09271500  1
  O  O37  1  0.17210200  0.82426100  0.58368000  1
  O  O38  1  0.54967000  0.69661100  0.61966000  1
  O  O39  1  0.47344000  0.14816900  0.13947200  1
  O  O40  1  0.20705200  0.12918500  0.16902200  1
  O  O41  1  0.81719000  0.62735900  0.64958000  1
  O  O42  1  0.31719000  0.37264100  0.85042000  1
  O  O43  1  0.70705200  0.87081500  0.33097800  1
  O  O44  1  0.97344000  0.85183100  0.36052800  1
  O  O45  1  0.04967000  0.30338900  0.88034000  1
  O  O46  1  0.33229100  0.68990400  0.40728500  1
  O  O47  1  0.67210200  0.17573900  0.91632000  1
