# generated using pymatgen
data_Tm5NiSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93630433
_cell_length_b   6.93631559
_cell_length_c   6.93180680
_cell_angle_alpha   99.71891119
_cell_angle_beta   99.56892154
_cell_angle_gamma   131.69521338
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm5NiSe4
_chemical_formula_sum   'Tm5 Ni1 Se4'
_cell_volume   227.19718375
_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  0.40667348  0.77260307  0.17927855  1.0
  Tm  Tm1  1  0.00000000  0.00000000  0.00000000  1.0
  Tm  Tm2  1  0.59332652  0.22739693  0.82072145  1.0
  Tm  Tm3  1  0.22721380  0.40691562  0.63412942  1.0
  Tm  Tm4  1  0.77278620  0.59308438  0.36587058  1.0
  Ni  Ni5  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se6  1  0.09137998  0.69270308  0.78408506  1.0
  Se  Se7  1  0.69257030  0.90856301  0.60113831  1.0
  Se  Se8  1  0.30742970  0.09143699  0.39886169  1.0
  Se  Se9  1  0.90862002  0.30729692  0.21591494  1.0