# generated using pymatgen
data_Ta24Ti5Se48
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.86692615
_cell_length_b   14.86692615
_cell_length_c   14.86692587
_cell_angle_alpha   48.23406466
_cell_angle_beta   48.23406466
_cell_angle_gamma   48.23406636
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta24Ti5Se48
_chemical_formula_sum   'Ta24 Ti5 Se48'
_cell_volume   1675.61783141
_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
  Ta  Ta0  1  0.07350900  0.07849100  0.59658100  1.0
  Ta  Ta1  1  0.17443400  0.17443400  0.17443400  1.0
  Ta  Ta2  1  0.07849100  0.59658100  0.07350900  1.0
  Ta  Ta3  1  0.42525600  0.41871400  0.90609400  1.0
  Ta  Ta4  1  0.24923300  0.75482200  0.74583400  1.0
  Ta  Ta5  1  0.09390600  0.57474400  0.58128600  1.0
  Ta  Ta6  1  0.58365200  0.58365200  0.58365200  1.0
  Ta  Ta7  1  0.25416600  0.75076700  0.24517800  1.0
  Ta  Ta8  1  0.41871400  0.90609400  0.42525600  1.0
  Ta  Ta9  1  0.03804800  0.03804800  0.03804800  1.0
  Ta  Ta10  1  0.75482200  0.74583400  0.24923300  1.0
  Ta  Ta11  1  0.59658100  0.07350900  0.07849100  1.0
  Ta  Ta12  1  0.40341900  0.92649100  0.92150900  1.0
  Ta  Ta13  1  0.24517800  0.25416600  0.75076700  1.0
  Ta  Ta14  1  0.96195200  0.96195200  0.96195200  1.0
  Ta  Ta15  1  0.58128600  0.09390600  0.57474400  1.0
  Ta  Ta16  1  0.74583400  0.24923300  0.75482200  1.0
  Ta  Ta17  1  0.41634800  0.41634800  0.41634800  1.0
  Ta  Ta18  1  0.90609400  0.42525600  0.41871400  1.0
  Ta  Ta19  1  0.75076700  0.24517800  0.25416600  1.0
  Ta  Ta20  1  0.57474400  0.58128600  0.09390600  1.0
  Ta  Ta21  1  0.92150900  0.40341900  0.92649100  1.0
  Ta  Ta22  1  0.82556600  0.82556600  0.82556600  1.0
  Ta  Ta23  1  0.92649100  0.92150900  0.40341900  1.0
  Ti  Ti24  1  0.32736700  0.32736700  0.32736700  1.0
  Ti  Ti25  1  0.10278400  0.10278400  0.10278400  1.0
  Ti  Ti26  1  0.67263300  0.67263300  0.67263300  1.0
  Ti  Ti27  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti28  1  0.89721600  0.89721600  0.89721600  1.0
  Se  Se29  1  0.21003600  0.53812500  0.37107900  1.0
  Se  Se30  1  0.94895600  0.30858300  0.13777900  1.0
  Se  Se31  1  0.96159900  0.16941500  0.76616400  1.0
  Se  Se32  1  0.20789500  0.38366400  0.03227600  1.0
  Se  Se33  1  0.37756600  0.70937300  0.03660500  1.0
  Se  Se34  1  0.12251200  0.46081800  0.79444700  1.0
  Se  Se35  1  0.37283900  0.54492300  0.70385200  1.0
  Se  Se36  1  0.12057300  0.29272300  0.45552500  1.0
  Se  Se37  1  0.23383600  0.03840100  0.83058500  1.0
  Se  Se38  1  0.96772400  0.79210500  0.61633600  1.0
  Se  Se39  1  0.54447500  0.87942700  0.70727700  1.0
  Se  Se40  1  0.29614800  0.62716100  0.45507700  1.0
  Se  Se41  1  0.20555300  0.87748800  0.53918200  1.0
  Se  Se42  1  0.96339500  0.62243400  0.29062700  1.0
  Se  Se43  1  0.37107900  0.21003600  0.53812500  1.0
  Se  Se44  1  0.13777900  0.94895600  0.30858300  1.0
  Se  Se45  1  0.54492300  0.70385200  0.37283900  1.0
  Se  Se46  1  0.29272300  0.45552500  0.12057300  1.0
  Se  Se47  1  0.70937300  0.03660500  0.37756600  1.0
  Se  Se48  1  0.46081800  0.79444700  0.12251200  1.0
  Se  Se49  1  0.38366400  0.03227600  0.20789500  1.0
  Se  Se50  1  0.16941500  0.76616400  0.96159900  1.0
  Se  Se51  1  0.69141700  0.86222100  0.05104400  1.0
  Se  Se52  1  0.46187500  0.62892100  0.78996400  1.0
  Se  Se53  1  0.53812500  0.37107900  0.21003600  1.0
  Se  Se54  1  0.30858300  0.13777900  0.94895600  1.0
  Se  Se55  1  0.83058500  0.23383600  0.03840100  1.0
  Se  Se56  1  0.61633600  0.96772400  0.79210500  1.0
  Se  Se57  1  0.53918200  0.20555300  0.87748800  1.0
  Se  Se58  1  0.29062700  0.96339500  0.62243400  1.0
  Se  Se59  1  0.45507700  0.29614800  0.62716100  1.0
  Se  Se60  1  0.70727700  0.54447500  0.87942700  1.0
  Se  Se61  1  0.62892100  0.78996400  0.46187500  1.0
  Se  Se62  1  0.86222100  0.05104400  0.69141700  1.0
  Se  Se63  1  0.03660500  0.37756600  0.70937300  1.0
  Se  Se64  1  0.79444700  0.12251200  0.46081800  1.0
  Se  Se65  1  0.70385100  0.37283900  0.54492300  1.0
  Se  Se66  1  0.45552500  0.12057300  0.29272300  1.0
  Se  Se67  1  0.76616400  0.96159900  0.16941500  1.0
  Se  Se68  1  0.03227600  0.20789500  0.38366400  1.0
  Se  Se69  1  0.87942700  0.70727700  0.54447500  1.0
  Se  Se70  1  0.62716100  0.45507700  0.29614800  1.0
  Se  Se71  1  0.87748800  0.53918200  0.20555300  1.0
  Se  Se72  1  0.62243400  0.29062700  0.96339500  1.0
  Se  Se73  1  0.03840100  0.83058500  0.23383600  1.0
  Se  Se74  1  0.79210500  0.61633600  0.96772400  1.0
  Se  Se75  1  0.78996400  0.46187500  0.62892100  1.0
  Se  Se76  1  0.05104400  0.69141700  0.86222100  1.0