# generated using pymatgen
data_Ca9TbIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51259626
_cell_length_b   7.53683235
_cell_length_c   8.57145716
_cell_angle_alpha   97.28762144
_cell_angle_beta   112.32749798
_cell_angle_gamma   90.00000258
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9TbIr4
_chemical_formula_sum   'Ca9 Tb1 Ir4'
_cell_volume   385.50496101
_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  0.97081286  0.91847797  0.17233748  1.0
  Ca  Ca1  1  0.79847539  0.58152203  0.82766252  1.0
  Ca  Ca2  1  0.02322366  0.08120939  0.82547942  1.0
  Ca  Ca3  1  0.19774324  0.41879061  0.17452058  1.0
  Ca  Ca4  1  0.63763512  0.82299174  0.43361904  1.0
  Ca  Ca5  1  0.20401608  0.67700826  0.56638096  1.0
  Ca  Ca6  1  0.36251623  0.17764915  0.56261212  1.0
  Ca  Ca7  1  0.79990411  0.32235085  0.43738788  1.0
  Ca  Ca8  1  0.42650135  0.75000000  1.00000000  1.0
  Tb  Tb9  1  0.56392597  0.25000000  0.00000000  1.0
  Ir  Ir10  1  0.81744070  0.57170796  0.21391458  1.0
  Ir  Ir11  1  0.60352612  0.92829204  0.78608542  1.0
  Ir  Ir12  1  0.18979562  0.41319663  0.78531007  1.0
  Ir  Ir13  1  0.40448555  0.08680337  0.21468993  1.0