# generated using pymatgen
data_TiCr2Fe3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53349606
_cell_length_b   8.53349606
_cell_length_c   8.53349534
_cell_angle_alpha   60.82547238
_cell_angle_beta   60.82547238
_cell_angle_gamma   60.82547039
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr2Fe3(PO4)6
_chemical_formula_sum   'Ti1 Cr2 Fe3 P6 O24'
_cell_volume   447.58571640
_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  0.14554500  0.14554500  0.14554500  1.0
  Cr  Cr1  1  0.99905400  0.99905400  0.99905400  1.0
  Cr  Cr2  1  0.49918100  0.49918100  0.49918100  1.0
  Fe  Fe3  1  0.85349800  0.85349800  0.85349800  1.0
  Fe  Fe4  1  0.64620000  0.64620000  0.64620000  1.0
  Fe  Fe5  1  0.35401100  0.35401100  0.35401100  1.0
  P  P6  1  0.74968900  0.45460800  0.04663800  1.0
  P  P7  1  0.45460800  0.04663800  0.74968900  1.0
  P  P8  1  0.04663800  0.74968900  0.45460800  1.0
  P  P9  1  0.95340100  0.25061600  0.54722000  1.0
  P  P10  1  0.54722000  0.95340100  0.25061600  1.0
  P  P11  1  0.25061600  0.54722000  0.95340100  1.0
  O  O12  1  0.88994000  0.68506400  0.49177300  1.0
  O  O13  1  0.68506400  0.49177300  0.88994000  1.0
  O  O14  1  0.93896700  0.09024700  0.74285100  1.0
  O  O15  1  0.49177300  0.88994000  0.68506400  1.0
  O  O16  1  0.00446300  0.18198300  0.38409800  1.0
  O  O17  1  0.75549900  0.40932200  0.55439400  1.0
  O  O18  1  0.74285100  0.93896700  0.09024700  1.0
  O  O19  1  0.55439400  0.75549900  0.40932200  1.0
  O  O20  1  0.81825600  0.60947800  0.00578100  1.0
  O  O21  1  0.40932200  0.55439400  0.75549900  1.0
  O  O22  1  0.91150400  0.25519300  0.06303700  1.0
  O  O23  1  0.60947800  0.00578100  0.81825600  1.0
  O  O24  1  0.38409800  0.00446300  0.18198300  1.0
  O  O25  1  0.09024700  0.74285100  0.93896700  1.0
  O  O26  1  0.59071200  0.43861100  0.24616000  1.0
  O  O27  1  0.18198300  0.38409800  0.00446300  1.0
  O  O28  1  0.43861100  0.24616000  0.59071200  1.0
  O  O29  1  0.25519300  0.06303700  0.91150400  1.0
  O  O30  1  0.24616000  0.59071200  0.43861100  1.0
  O  O31  1  0.00578100  0.81825600  0.60947800  1.0
  O  O32  1  0.50505700  0.10885600  0.31909200  1.0
  O  O33  1  0.06303700  0.91150400  0.25519300  1.0
  O  O34  1  0.31909200  0.50505700  0.10885600  1.0
  O  O35  1  0.10885600  0.31909200  0.50505700  1.0