# generated using pymatgen
data_Ca8In3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59116851
_cell_length_b   9.68161568
_cell_length_c   9.75208887
_cell_angle_alpha   99.07480936
_cell_angle_beta   100.98942287
_cell_angle_gamma   119.69453552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8In3
_chemical_formula_sum   'Ca16 In6'
_cell_volume   737.68289320
_cell_formula_units_Z   2
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  0.29576917  0.94115314  0.78168675  1.0
  Ca  Ca1  1  0.86893930  0.58158750  0.76185556  1.0
  Ca  Ca2  1  0.03833675  0.37959324  0.22218628  1.0
  Ca  Ca3  1  0.80402499  0.17849683  0.46134678  1.0
  Ca  Ca4  1  0.66928109  0.75791335  0.22129533  1.0
  Ca  Ca5  1  0.37629991  0.81909241  0.44103711  1.0
  Ca  Ca6  1  0.25776919  0.64979905  0.00472087  1.0
  Ca  Ca7  1  0.21638740  0.28151793  0.75994927  1.0
  Ca  Ca8  1  0.41457897  0.11065946  0.21849475  1.0
  Ca  Ca9  1  0.10986135  0.03244344  0.41119067  1.0
  Ca  Ca10  1  0.87796243  0.58916565  0.40827360  1.0
  Ca  Ca11  1  0.00370310  0.00296312  0.00186535  1.0
  Ca  Ca12  1  0.56297856  0.72750514  0.81238146  1.0
  Ca  Ca13  1  0.79343067  0.17009662  0.81440560  1.0
  Ca  Ca14  1  0.45622875  0.47922706  0.46332654  1.0
  Ca  Ca15  1  0.63411238  0.38052868  0.00090996  1.0
  In  In16  1  0.83636864  0.88019780  0.61169935  1.0
  In  In17  1  0.66005297  0.04025109  0.08511786  1.0
  In  In18  1  0.01211400  0.72026583  0.13822279  1.0
  In  In19  1  0.16305904  0.54311310  0.61137823  1.0
  In  In20  1  0.33666265  0.38073765  0.11150587  1.0
  In  In21  1  0.50967770  0.21739291  0.61165100  1.0