# generated using pymatgen
data_Ca7Tb2NdIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61832391
_cell_length_b   7.43339992
_cell_length_c   8.70872187
_cell_angle_alpha   96.75319389
_cell_angle_beta   113.35495939
_cell_angle_gamma   90.61892051
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7Tb2NdIr4
_chemical_formula_sum   'Ca7 Tb2 Nd1 Ir4'
_cell_volume   389.83191476
_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  0.79971707  0.57652697  0.82109762  1.0
  Ca  Ca1  1  0.02224458  0.08243432  0.82023935  1.0
  Ca  Ca2  1  0.19278119  0.41710443  0.17417346  1.0
  Ca  Ca3  1  0.63660308  0.81880864  0.43095261  1.0
  Ca  Ca4  1  0.20355290  0.68152021  0.56536359  1.0
  Ca  Ca5  1  0.36771244  0.17844715  0.56926811  1.0
  Ca  Ca6  1  0.80168304  0.31891062  0.43420748  1.0
  Tb  Tb7  1  0.42899107  0.74641947  0.99672873  1.0
  Tb  Tb8  1  0.56148765  0.25399029  0.00384502  1.0
  Nd  Nd9  1  0.97399913  0.91840212  0.16818248  1.0
  Ir  Ir10  1  0.81120815  0.58359770  0.21010441  1.0
  Ir  Ir11  1  0.61404368  0.92852123  0.81214619  1.0
  Ir  Ir12  1  0.19507883  0.42386483  0.78748754  1.0
  Ir  Ir13  1  0.39089517  0.07145201  0.20620442  1.0