# generated using pymatgen
data_Ti5Fe(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44913307
_cell_length_b   8.44913307
_cell_length_c   8.44913268
_cell_angle_alpha   62.42511885
_cell_angle_beta   62.42511885
_cell_angle_gamma   62.42511515
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Fe(PO4)6
_chemical_formula_sum   'Ti5 Fe1 P6 O24'
_cell_volume   449.56532394
_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
  Ti  Ti0  1  0.99875700  0.99875700  0.99875700  1.0
  Ti  Ti1  1  0.49948500  0.49948500  0.49948500  1.0
  Ti  Ti2  1  0.14091400  0.14091400  0.14091400  1.0
  Ti  Ti3  1  0.35595100  0.35595100  0.35595100  1.0
  Ti  Ti4  1  0.64363800  0.64363800  0.64363800  1.0
  Fe  Fe5  1  0.85541800  0.85541800  0.85541800  1.0
  P  P6  1  0.54262200  0.25144100  0.95647600  1.0
  P  P7  1  0.95647600  0.54262200  0.25144100  1.0
  P  P8  1  0.25144100  0.95647600  0.54262200  1.0
  P  P9  1  0.75039000  0.04690300  0.45486400  1.0
  P  P10  1  0.04690300  0.45486400  0.75039000  1.0
  P  P11  1  0.45486400  0.75039000  0.04690300  1.0
  O  O12  1  0.33292400  0.11038400  0.48771400  1.0
  O  O13  1  0.48771400  0.33292400  0.11038400  1.0
  O  O14  1  0.90193900  0.05924500  0.25242000  1.0
  O  O15  1  0.11038400  0.48771400  0.33292400  1.0
  O  O16  1  0.82228700  0.01879900  0.60094200  1.0
  O  O17  1  0.59333800  0.24623400  0.43155700  1.0
  O  O18  1  0.05924500  0.25242000  0.90193900  1.0
  O  O19  1  0.24623400  0.43155700  0.59333800  1.0
  O  O20  1  0.38624500  0.17849000  0.99945100  1.0
  O  O21  1  0.43155700  0.59333800  0.24623400  1.0
  O  O22  1  0.74092700  0.10478400  0.94757600  1.0
  O  O23  1  0.99945100  0.38624500  0.17849000  1.0
  O  O24  1  0.01879900  0.60094200  0.82228700  1.0
  O  O25  1  0.25242000  0.90193900  0.05924500  1.0
  O  O26  1  0.55527900  0.40712100  0.75726500  1.0
  O  O27  1  0.60094200  0.82228700  0.01879900  1.0
  O  O28  1  0.75726500  0.55527900  0.40712100  1.0
  O  O29  1  0.94757600  0.74092700  0.10478400  1.0
  O  O30  1  0.40712100  0.75726500  0.55527900  1.0
  O  O31  1  0.17849000  0.99945100  0.38624500  1.0
  O  O32  1  0.88616000  0.50246500  0.67959500  1.0
  O  O33  1  0.10478400  0.94757600  0.74092700  1.0
  O  O34  1  0.50246500  0.67959500  0.88616000  1.0
  O  O35  1  0.67959500  0.88616000  0.50246500  1.0