# generated using pymatgen
data_Ca9PrIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61386828
_cell_length_b   8.61386834
_cell_length_c   7.57078940
_cell_angle_alpha   82.87031873
_cell_angle_beta   82.87031595
_cell_angle_gamma   44.83084274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9PrIr4
_chemical_formula_sum   'Ca9 Pr1 Ir4'
_cell_volume   392.45214404
_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  0.02257195  0.80277411  0.91434181  1.0
  Ca  Ca1  1  0.19722589  0.97742805  0.58565819  1.0
  Ca  Ca2  1  0.98038352  0.19552252  0.08055230  1.0
  Ca  Ca3  1  0.80447748  0.01961648  0.41944770  1.0
  Ca  Ca4  1  0.36305383  0.20428343  0.82273495  1.0
  Ca  Ca5  1  0.79571657  0.63694617  0.67726505  1.0
  Ca  Ca6  1  0.64020654  0.79961457  0.17724332  1.0
  Ca  Ca7  1  0.20038543  0.35979346  0.32275668  1.0
  Ca  Ca8  1  0.57036193  0.42963807  0.75000000  1.0
  Pr  Pr9  1  0.43395594  0.56604406  0.25000000  1.0
  Ir  Ir10  1  0.17698963  0.60349279  0.57638300  1.0
  Ir  Ir11  1  0.39650721  0.82301037  0.92361700  1.0
  Ir  Ir12  1  0.81766141  0.39949934  0.41358545  1.0
  Ir  Ir13  1  0.60050066  0.18233859  0.08641455  1.0