# generated using pymatgen
data_Tm5GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96455525
_cell_length_b   6.96456309
_cell_length_c   6.97152573
_cell_angle_alpha   99.58164542
_cell_angle_beta   99.49477615
_cell_angle_gamma   131.93276963
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm5GeSe4
_chemical_formula_sum   'Tm5 Ge1 Se4'
_cell_volume   229.79972291
_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
  Tm  Tm0  1  0.40265497  0.79057055  0.19322752  1.0
  Tm  Tm1  1  0.00000000  0.00000000  0.00000000  1.0
  Tm  Tm2  1  0.59734503  0.20942945  0.80677248  1.0
  Tm  Tm3  1  0.20999028  0.40255548  0.61254476  1.0
  Tm  Tm4  1  0.79000972  0.59744452  0.38745524  1.0
  Ge  Ge5  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se6  1  0.09730828  0.69751634  0.79482462  1.0
  Se  Se7  1  0.69763261  0.90260491  0.60023953  1.0
  Se  Se8  1  0.30236739  0.09739509  0.39976047  1.0
  Se  Se9  1  0.90269172  0.30248366  0.20517538  1.0