# generated using pymatgen
data_TmNiB2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97943065
_cell_length_b   5.02818560
_cell_length_c   7.24639048
_cell_angle_alpha   60.36127880
_cell_angle_beta   57.51433650
_cell_angle_gamma   61.76199279
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmNiB2Ir
_chemical_formula_sum   'Tm2 Ni2 B4 Ir2'
_cell_volume   127.57806664
_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  0.87578055  0.12087721  0.74870427  1.0
  Tm  Tm1  1  0.12421945  0.87912279  0.25129573  1.0
  Ni  Ni2  1  0.73147458  0.52017011  0.30276592  1.0
  Ni  Ni3  1  0.26852542  0.47982989  0.69723408  1.0
  B  B4  1  0.50143691  0.82889418  0.47732335  1.0
  B  B5  1  0.49856309  0.17110582  0.52267665  1.0
  B  B6  1  0.16191071  0.50152676  0.01437725  1.0
  B  B7  1  0.83808929  0.49847324  0.98562275  1.0
  Ir  Ir8  1  0.45549766  0.26489452  0.21324051  1.0
  Ir  Ir9  1  0.54450234  0.73510548  0.78675949  1.0