# generated using pymatgen
data_Ca8LaTbIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63534297
_cell_length_b   7.49316794
_cell_length_c   8.64358893
_cell_angle_alpha   97.41185138
_cell_angle_beta   112.55677414
_cell_angle_gamma   89.91552060
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8LaTbIr4
_chemical_formula_sum   'Ca8 La1 Tb1 Ir4'
_cell_volume   393.02318393
_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  0.97938467  0.92075716  0.17523067  1.0
  Ca  Ca1  1  0.80443679  0.57932190  0.82485974  1.0
  Ca  Ca2  1  0.01698967  0.08692662  0.82393243  1.0
  Ca  Ca3  1  0.19286273  0.41291866  0.17609401  1.0
  Ca  Ca4  1  0.64011777  0.82113144  0.43991239  1.0
  Ca  Ca5  1  0.20043357  0.67861889  0.56031033  1.0
  Ca  Ca6  1  0.36429686  0.17954466  0.56611766  1.0
  Ca  Ca7  1  0.79782606  0.32082605  0.43370585  1.0
  La  La8  1  0.43365798  0.75024473  0.00034110  1.0
  Tb  Tb9  1  0.56157369  0.24988584  0.99968674  1.0
  Ir  Ir10  1  0.81050333  0.57420355  0.20839660  1.0
  Ir  Ir11  1  0.60194035  0.92593219  0.79141133  1.0
  Ir  Ir12  1  0.19161566  0.42109165  0.78757186  1.0
  Ir  Ir13  1  0.40436088  0.07859665  0.21242927  1.0