# generated using pymatgen
data_Ca5Nd5Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68000405
_cell_length_b   8.85529515
_cell_length_c   7.44794610
_cell_angle_alpha   83.41500880
_cell_angle_beta   82.99736211
_cell_angle_gamma   44.82545697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Nd5Ir4
_chemical_formula_sum   'Ca5 Nd5 Ir4'
_cell_volume   400.23262607
_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  0.01780453  0.80467998  0.91457497  1.0
  Ca  Ca1  1  0.20038330  0.98426635  0.58599572  1.0
  Ca  Ca2  1  0.98626762  0.19366102  0.08520922  1.0
  Ca  Ca3  1  0.80096432  0.01371398  0.41449822  1.0
  Ca  Ca4  1  0.35288249  0.20904896  0.81556413  1.0
  Nd  Nd5  1  0.78563413  0.65122449  0.67909542  1.0
  Nd  Nd6  1  0.63943117  0.79730021  0.17946125  1.0
  Nd  Nd7  1  0.21006873  0.35535867  0.31920742  1.0
  Nd  Nd8  1  0.56651668  0.42774238  0.75035037  1.0
  Nd  Nd9  1  0.43664672  0.56196804  0.25310420  1.0
  Ir  Ir10  1  0.17735396  0.59530501  0.57131688  1.0
  Ir  Ir11  1  0.41362605  0.80140423  0.92958524  1.0
  Ir  Ir12  1  0.81786363  0.41925054  0.42449898  1.0
  Ir  Ir13  1  0.59455766  0.18507715  0.07753998  1.0