# generated using pymatgen
data_Ca2Tb(B3Ir4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90889875
_cell_length_b   9.05696643
_cell_length_c   5.60726157
_cell_angle_alpha   81.34551868
_cell_angle_beta   64.63754776
_cell_angle_gamma   34.01694132
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Tb(B3Ir4)2
_chemical_formula_sum   'Ca2 Tb1 B6 Ir8'
_cell_volume   232.62778865
_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  0.31845403  0.31845403  0.68154597  1.0
  Ca  Ca1  1  0.68154597  0.68154597  0.31845403  1.0
  Tb  Tb2  1  0.50000000  0.50000000  0.50000000  1.0
  B  B3  1  0.67040809  0.98429039  0.01570961  1.0
  B  B4  1  0.98429039  0.67040809  0.32959191  1.0
  B  B5  1  0.32959191  0.01570961  0.98429039  1.0
  B  B6  1  0.01570961  0.32959191  0.67040809  1.0
  B  B7  1  0.16720242  0.83279758  0.16720242  1.0
  B  B8  1  0.83279758  0.16720242  0.83279758  1.0
  Ir  Ir9  1  0.58503272  0.58503272  0.91496728  1.0
  Ir  Ir10  1  0.91363334  0.91363334  0.08636666  1.0
  Ir  Ir11  1  0.41496728  0.41496728  0.08503272  1.0
  Ir  Ir12  1  0.08503272  0.08503272  0.41496728  1.0
  Ir  Ir13  1  0.91496728  0.91496728  0.58503272  1.0
  Ir  Ir14  1  0.25000000  0.25000000  0.25000000  1.0
  Ir  Ir15  1  0.08636666  0.08636666  0.91363334  1.0
  Ir  Ir16  1  0.75000000  0.75000000  0.75000000  1.0