# generated using pymatgen
data_Ti11Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.91458766
_cell_length_b   12.91458766
_cell_length_c   19.26408321
_cell_angle_alpha   62.39134062
_cell_angle_beta   62.39134062
_cell_angle_gamma   15.30810050
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti11Se4
_chemical_formula_sum   'Ti33 Se12'
_cell_volume   749.81261515
_cell_formula_units_Z   3
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  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.08286200  0.08286200  0.06330800  1.0
  Ti  Ti2  1  0.91713800  0.91713800  0.93669200  1.0
  Ti  Ti3  1  0.21132400  0.21132400  0.07027800  1.0
  Ti  Ti4  1  0.78867600  0.78867600  0.92972200  1.0
  Ti  Ti5  1  0.80117000  0.80117000  0.09974900  1.0
  Ti  Ti6  1  0.19883000  0.19883000  0.90025100  1.0
  Ti  Ti7  1  0.40316800  0.40316800  0.06475400  1.0
  Ti  Ti8  1  0.59683200  0.59683200  0.93524600  1.0
  Ti  Ti9  1  0.48760900  0.48760900  0.12533200  1.0
  Ti  Ti10  1  0.51239100  0.51239100  0.87466800  1.0
  Ti  Ti11  1  0.59764700  0.59764700  0.16578800  1.0
  Ti  Ti12  1  0.40235300  0.40235300  0.83421200  1.0
  Ti  Ti13  1  0.88225100  0.88225100  0.19852900  1.0
  Ti  Ti14  1  0.11774900  0.11774900  0.80147100  1.0
  Ti  Ti15  1  0.99730300  0.99730300  0.24621300  1.0
  Ti  Ti16  1  0.00269700  0.00269700  0.75378700  1.0
  Ti  Ti17  1  0.11776700  0.11776700  0.28873500  1.0
  Ti  Ti18  1  0.88223300  0.88223300  0.71126500  1.0
  Ti  Ti19  1  0.72190700  0.72190700  0.29366200  1.0
  Ti  Ti20  1  0.27809300  0.27809300  0.70633800  1.0
  Ti  Ti21  1  0.28934200  0.28934200  0.34556000  1.0
  Ti  Ti22  1  0.71065800  0.71065800  0.65444000  1.0
  Ti  Ti23  1  0.85473700  0.85473700  0.39644200  1.0
  Ti  Ti24  1  0.14526300  0.14526300  0.60355800  1.0
  Ti  Ti25  1  0.16036200  0.16036200  0.41717900  1.0
  Ti  Ti26  1  0.83963800  0.83963800  0.58282100  1.0
  Ti  Ti27  1  0.56799600  0.56799600  0.42848500  1.0
  Ti  Ti28  1  0.43200400  0.43200400  0.57151500  1.0
  Ti  Ti29  1  0.97621700  0.97621700  0.43333000  1.0
  Ti  Ti30  1  0.02378300  0.02378300  0.56667000  1.0
  Ti  Ti31  1  0.72944800  0.72944800  0.46560100  1.0
  Ti  Ti32  1  0.27055200  0.27055200  0.53439900  1.0
  Se  Se33  1  0.66840600  0.66840600  0.00984800  1.0
  Se  Se34  1  0.33159400  0.33159400  0.99015200  1.0
  Se  Se35  1  0.69079000  0.69079000  0.18498600  1.0
  Se  Se36  1  0.30921000  0.30921000  0.81501400  1.0
  Se  Se37  1  0.30354200  0.30354200  0.20131100  1.0
  Se  Se38  1  0.69645800  0.69645800  0.79868900  1.0
  Se  Se39  1  0.53089300  0.53089300  0.32036200  1.0
  Se  Se40  1  0.46910700  0.46910700  0.67963800  1.0
  Se  Se41  1  0.41018100  0.41018100  0.28074800  1.0
  Se  Se42  1  0.58981900  0.58981900  0.71925200  1.0
  Se  Se43  1  0.39070800  0.39070800  0.46813500  1.0
  Se  Se44  1  0.60929200  0.60929200  0.53186500  1.0