# generated using pymatgen
data_Ca2La17TbIr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.39188442
_cell_length_b   11.39188442
_cell_length_c   6.58041470
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2La17TbIr12
_chemical_formula_sum   'Ca2 La17 Tb1 Ir12'
_cell_volume   853.97352024
_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  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  La  La2  1  0.28821435  0.09014177  0.40273131  1.0
  La  La3  1  0.28997878  0.90809509  0.90307825  1.0
  La  La4  1  0.71002122  0.09190491  0.90307825  1.0
  La  La5  1  0.71178565  0.90985823  0.40273131  1.0
  La  La6  1  0.59213793  0.79096211  0.90123904  1.0
  La  La7  1  0.58928637  0.20811387  0.40036447  1.0
  La  La8  1  0.41071363  0.79188613  0.40036447  1.0
  La  La9  1  0.40786207  0.20903789  0.90123904  1.0
  La  La10  1  0.20811387  0.41071363  0.59963553  1.0
  La  La11  1  0.20903789  0.59213793  0.09876096  1.0
  La  La12  1  0.79096211  0.40786207  0.09876096  1.0
  La  La13  1  0.79188613  0.58928637  0.59963553  1.0
  La  La14  1  0.90809509  0.71002122  0.09692175  1.0
  La  La15  1  0.90985823  0.28821435  0.59726869  1.0
  La  La16  1  0.09014177  0.71178565  0.59726869  1.0
  La  La17  1  0.09190491  0.28997878  0.09692175  1.0
  La  La18  1  0.50000000  0.50000000  0.50000000  1.0
  Tb  Tb19  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir20  1  0.84034994  0.15796239  0.25118664  1.0
  Ir  Ir21  1  0.84203761  0.84034994  0.74881336  1.0
  Ir  Ir22  1  0.15796239  0.15965006  0.74881336  1.0
  Ir  Ir23  1  0.15965006  0.84203761  0.25118664  1.0
  Ir  Ir24  1  0.64920955  0.34786928  0.75477183  1.0
  Ir  Ir25  1  0.65213072  0.64920955  0.24522817  1.0
  Ir  Ir26  1  0.34786928  0.35079045  0.24522817  1.0
  Ir  Ir27  1  0.35079045  0.65213072  0.75477183  1.0
  Ir  Ir28  1  0.50000000  0.00000000  0.13534806  1.0
  Ir  Ir29  1  0.50000000  0.00000000  0.63476999  1.0
  Ir  Ir30  1  0.00000000  0.50000000  0.86465194  1.0
  Ir  Ir31  1  0.00000000  0.50000000  0.36523001  1.0