# generated using pymatgen
data_CaTm(BIr)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58083333
_cell_length_b   7.58083333
_cell_length_c   3.99011981
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTm(BIr)8
_chemical_formula_sum   'Ca1 Tm1 B8 Ir8'
_cell_volume   229.30833097
_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  0.50000000  0.50000000  0.50000000  1.0
  Tm  Tm1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.34274198  0.77894824  0.88991839  1.0
  B  B3  1  0.65725802  0.22105176  0.88991839  1.0
  B  B4  1  0.77894824  0.65725802  0.11008161  1.0
  B  B5  1  0.22105176  0.34274198  0.11008161  1.0
  B  B6  1  0.27828426  0.15707680  0.38829688  1.0
  B  B7  1  0.72171574  0.84292320  0.38829688  1.0
  B  B8  1  0.84292320  0.27828426  0.61170312  1.0
  B  B9  1  0.15707680  0.72171574  0.61170312  1.0
  Ir  Ir10  1  0.38853282  0.15425274  0.88808753  1.0
  Ir  Ir11  1  0.61146718  0.84574726  0.88808753  1.0
  Ir  Ir12  1  0.84574726  0.38853282  0.11191247  1.0
  Ir  Ir13  1  0.15425274  0.61146718  0.11191247  1.0
  Ir  Ir14  1  0.33955603  0.88926906  0.38632963  1.0
  Ir  Ir15  1  0.66044397  0.11073094  0.38632963  1.0
  Ir  Ir16  1  0.88926906  0.66044397  0.61367037  1.0
  Ir  Ir17  1  0.11073094  0.33955603  0.61367037  1.0