# generated using pymatgen
data_CaTmB6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62037748
_cell_length_b   9.12334920
_cell_length_c   11.51680833
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTmB6Ir
_chemical_formula_sum   'Ca4 Tm4 B24 Ir4'
_cell_volume   380.39981073
_cell_formula_units_Z   4
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  0.00000000  0.32184447  0.41425151  1.0
  Ca  Ca1  1  0.00000000  0.67815553  0.58574849  1.0
  Ca  Ca2  1  0.00000000  0.82184447  0.08574849  1.0
  Ca  Ca3  1  0.00000000  0.17815553  0.91425151  1.0
  Tm  Tm4  1  0.00000000  0.94438013  0.37402469  1.0
  Tm  Tm5  1  0.00000000  0.05561987  0.62597531  1.0
  Tm  Tm6  1  0.00000000  0.44438013  0.12597531  1.0
  Tm  Tm7  1  0.00000000  0.55561987  0.87402469  1.0
  B  B8  1  0.50000000  0.55481603  0.43236701  1.0
  B  B9  1  0.50000000  0.44518397  0.56763299  1.0
  B  B10  1  0.50000000  0.05481603  0.06763299  1.0
  B  B11  1  0.50000000  0.94518397  0.93236701  1.0
  B  B12  1  0.50000000  0.74930591  0.41955167  1.0
  B  B13  1  0.50000000  0.25069409  0.58044833  1.0
  B  B14  1  0.50000000  0.24930591  0.08044833  1.0
  B  B15  1  0.50000000  0.75069409  0.91955167  1.0
  B  B16  1  0.50000000  0.79051600  0.26617239  1.0
  B  B17  1  0.50000000  0.20948400  0.73382761  1.0
  B  B18  1  0.50000000  0.29051600  0.23382761  1.0
  B  B19  1  0.50000000  0.70948400  0.76617239  1.0
  B  B20  1  0.50000000  0.63131308  0.18376502  1.0
  B  B21  1  0.50000000  0.36868692  0.81623498  1.0
  B  B22  1  0.50000000  0.13131308  0.31623498  1.0
  B  B23  1  0.50000000  0.86868692  0.68376502  1.0
  B  B24  1  0.50000000  0.98423992  0.21343644  1.0
  B  B25  1  0.50000000  0.01576008  0.78656356  1.0
  B  B26  1  0.50000000  0.48423992  0.28656356  1.0
  B  B27  1  0.50000000  0.51576008  0.71343644  1.0
  B  B28  1  0.50000000  0.60581648  0.02886350  1.0
  B  B29  1  0.50000000  0.39418352  0.97113650  1.0
  B  B30  1  0.50000000  0.10581648  0.47113650  1.0
  B  B31  1  0.50000000  0.89418352  0.52886350  1.0
  Ir  Ir32  1  0.00000000  0.63865643  0.31977932  1.0
  Ir  Ir33  1  0.00000000  0.36134357  0.68022068  1.0
  Ir  Ir34  1  0.00000000  0.13865643  0.18022068  1.0
  Ir  Ir35  1  0.00000000  0.86134357  0.81977932  1.0