# generated using pymatgen
data_LuNiB2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96308675
_cell_length_b   4.99808383
_cell_length_c   7.25908485
_cell_angle_alpha   60.38620338
_cell_angle_beta   57.41710791
_cell_angle_gamma   61.36949752
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuNiB2Ir
_chemical_formula_sum   'Lu2 Ni2 B4 Ir2'
_cell_volume   126.20670380
_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
  Lu  Lu0  1  0.87572222  0.12164619  0.74808129  1.0
  Lu  Lu1  1  0.12427778  0.87835381  0.25191871  1.0
  Ni  Ni2  1  0.73140782  0.52026911  0.30227464  1.0
  Ni  Ni3  1  0.26859218  0.47973089  0.69772536  1.0
  B  B4  1  0.50214257  0.82774591  0.47837025  1.0
  B  B5  1  0.49785743  0.17225409  0.52162975  1.0
  B  B6  1  0.16281183  0.50080341  0.01391542  1.0
  B  B7  1  0.83718817  0.49919659  0.98608458  1.0
  Ir  Ir8  1  0.45601706  0.26337002  0.21303255  1.0
  Ir  Ir9  1  0.54398294  0.73662998  0.78696745  1.0