# generated using pymatgen
data_Tm2NiB8Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86044947
_cell_length_b   6.86044928
_cell_length_c   6.86045067
_cell_angle_alpha   111.10498887
_cell_angle_beta   113.44276543
_cell_angle_gamma   104.00987717
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2NiB8Ir
_chemical_formula_sum   'Tm4 Ni2 B16 Ir2'
_cell_volume   246.77655010
_cell_formula_units_Z   2
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  0.78885035  0.78885035  1.00000000  1.0
  Tm  Tm1  1  0.21114965  0.21114965  0.00000000  1.0
  Tm  Tm2  1  0.75384250  0.25384250  0.50000000  1.0
  Tm  Tm3  1  0.24615750  0.74615750  0.50000000  1.0
  Ni  Ni4  1  0.50000000  0.74674513  0.24674513  1.0
  Ni  Ni5  1  0.50000000  0.25325487  0.75325487  1.0
  B  B6  1  0.27274995  0.10801890  0.38076785  1.0
  B  B7  1  0.72725005  0.89198110  0.61923215  1.0
  B  B8  1  0.27274995  0.89198110  0.16473006  1.0
  B  B9  1  0.72725005  0.10801890  0.83526994  1.0
  B  B10  1  0.11086795  0.73091373  0.84178268  1.0
  B  B11  1  0.88913205  0.26908627  0.15821732  1.0
  B  B12  1  0.11086795  0.26908627  0.37995521  1.0
  B  B13  1  0.88913205  0.73091373  0.62004479  1.0
  B  B14  1  0.11651354  0.11038644  0.53141551  1.0
  B  B15  1  0.57897093  0.58509903  0.46858449  1.0
  B  B16  1  0.11651354  0.58509903  0.00612810  1.0
  B  B17  1  0.57897093  0.11038644  0.99387190  1.0
  B  B18  1  0.88348646  0.88961356  0.46858449  1.0
  B  B19  1  0.42102907  0.41490097  0.53141551  1.0
  B  B20  1  0.88348746  0.41490097  0.99387190  1.0
  B  B21  1  0.42102907  0.88961456  0.00612810  1.0
  Ir  Ir22  1  0.27796091  0.50000000  0.77796091  1.0
  Ir  Ir23  1  0.72203909  0.50000000  0.22203909  1.0