# generated using pymatgen
data_TmSc(Be12Ni)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19377953
_cell_length_b   7.26273455
_cell_length_c   7.16464180
_cell_angle_alpha   59.81289455
_cell_angle_beta   59.52538558
_cell_angle_gamma   59.41630084
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmSc(Be12Ni)2
_chemical_formula_sum   'Tm1 Sc1 Be24 Ni2'
_cell_volume   262.18499250
_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  0.75196399  0.74803601  0.75196399  1.0
  Sc  Sc1  1  0.24767026  0.25232974  0.24767026  1.0
  Be  Be2  1  0.49993593  0.50006407  0.49993593  1.0
  Be  Be3  1  0.99994407  0.00005593  0.99994407  1.0
  Be  Be4  1  0.56858543  0.78832229  0.43071576  1.0
  Be  Be5  1  0.43071576  0.21237552  0.56858543  1.0
  Be  Be6  1  0.29592943  0.93723355  0.70309471  1.0
  Be  Be7  1  0.70309471  0.06374231  0.29592943  1.0
  Be  Be8  1  0.93392232  0.28539172  0.06737090  1.0
  Be  Be9  1  0.06737090  0.71331506  0.93392232  1.0
  Be  Be10  1  0.20591226  0.79748839  0.56068354  1.0
  Be  Be11  1  0.79545926  0.20360752  0.43800157  1.0
  Be  Be12  1  0.43800157  0.56293365  0.79545926  1.0
  Be  Be13  1  0.56068354  0.43591481  0.20591226  1.0
  Be  Be14  1  0.70825063  0.28522753  0.93704056  1.0
  Be  Be15  1  0.29033904  0.71478688  0.06407052  1.0
  Be  Be16  1  0.06407052  0.93080356  0.29033904  1.0
  Be  Be17  1  0.93704056  0.06948328  0.70825063  1.0
  Be  Be18  1  0.55900513  0.20694755  0.79817046  1.0
  Be  Be19  1  0.43965458  0.79445889  0.20312041  1.0
  Be  Be20  1  0.79817046  0.43587586  0.55900513  1.0
  Be  Be21  1  0.20312041  0.56276712  0.43965458  1.0
  Be  Be22  1  0.93693945  0.70981295  0.28891306  1.0
  Be  Be23  1  0.06368281  0.28942038  0.71019696  1.0
  Be  Be24  1  0.28891306  0.06433354  0.93693945  1.0
  Be  Be25  1  0.71019696  0.93670085  0.06368281  1.0
  Ni  Ni26  1  0.80213996  0.55748193  0.19928699  1.0
  Ni  Ni27  1  0.19928699  0.44109012  0.80213996  1.0