# generated using pymatgen
data_CaTm2(B3Ir4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.91333200
_cell_length_b   9.08354802
_cell_length_c   5.55719389
_cell_angle_alpha   81.38720798
_cell_angle_beta   64.95331347
_cell_angle_gamma   33.65948938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTm2(B3Ir4)2
_chemical_formula_sum   'Ca1 Tm2 B6 Ir8'
_cell_volume   229.91024940
_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
  Ca  Ca0  1  0.67996046  0.67996046  0.32003954  1.0
  Tm  Tm1  1  0.32281503  0.32281503  0.67718497  1.0
  Tm  Tm2  1  0.50261893  0.50261893  0.49738107  1.0
  B  B3  1  0.67154432  0.98005896  0.01994104  1.0
  B  B4  1  0.98005896  0.67154432  0.32845568  1.0
  B  B5  1  0.32606381  0.02035743  0.97964257  1.0
  B  B6  1  0.02035743  0.32606381  0.67393619  1.0
  B  B7  1  0.16829311  0.83152805  0.16847195  1.0
  B  B8  1  0.83152805  0.16829311  0.83170689  1.0
  Ir  Ir9  1  0.58562837  0.58562837  0.91437163  1.0
  Ir  Ir10  1  0.91243244  0.91243244  0.08756756  1.0
  Ir  Ir11  1  0.41448456  0.41448456  0.08551544  1.0
  Ir  Ir12  1  0.08562837  0.08562837  0.41437163  1.0
  Ir  Ir13  1  0.91448456  0.91448456  0.58551544  1.0
  Ir  Ir14  1  0.24977421  0.24977421  0.25022579  1.0
  Ir  Ir15  1  0.08455219  0.08455219  0.91544781  1.0
  Ir  Ir16  1  0.74977421  0.74977421  0.75022579  1.0