# generated using pymatgen
data_Ca3Ho(Sc3Sn4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66793567
_cell_length_b   8.02970540
_cell_length_c   15.06299397
_cell_angle_alpha   89.93356201
_cell_angle_beta   89.82627017
_cell_angle_gamma   90.18792666
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Ho(Sc3Sn4)2
_chemical_formula_sum   'Ca6 Ho2 Sc12 Sn16'
_cell_volume   927.43769908
_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  0.99662803  0.17766412  0.09416787  1.0
  Ca  Ca1  1  0.00337197  0.82233588  0.90583213  1.0
  Ca  Ca2  1  0.50518088  0.67702177  0.90703305  1.0
  Ca  Ca3  1  0.00497955  0.82152968  0.59132470  1.0
  Ca  Ca4  1  0.49481912  0.32297823  0.09296695  1.0
  Ca  Ca5  1  0.99502045  0.17847032  0.40867530  1.0
  Ho  Ho6  1  0.49887908  0.32051039  0.40518546  1.0
  Ho  Ho7  1  0.50112092  0.67948961  0.59481454  1.0
  Sc  Sc8  1  0.16439587  0.49998909  0.75011298  1.0
  Sc  Sc9  1  0.83560413  0.50001091  0.24988702  1.0
  Sc  Sc10  1  0.33597655  0.00061790  0.25028116  1.0
  Sc  Sc11  1  0.66402345  0.99938210  0.74971884  1.0
  Sc  Sc12  1  0.33192528  0.16146702  0.62677282  1.0
  Sc  Sc13  1  0.66807472  0.83853298  0.37322718  1.0
  Sc  Sc14  1  0.16651784  0.65921624  0.37429763  1.0
  Sc  Sc15  1  0.67080013  0.84057719  0.12785032  1.0
  Sc  Sc16  1  0.83348216  0.34078376  0.62570237  1.0
  Sc  Sc17  1  0.32919987  0.15942281  0.87214968  1.0
  Sc  Sc18  1  0.83106023  0.33893957  0.87302322  1.0
  Sc  Sc19  1  0.16893977  0.66106043  0.12697678  1.0
  Sn  Sn20  1  0.02498365  0.12995035  0.74840569  1.0
  Sn  Sn21  1  0.97501635  0.87004965  0.25159431  1.0
  Sn  Sn22  1  0.47348088  0.62702281  0.25123180  1.0
  Sn  Sn23  1  0.52651912  0.37297719  0.74876820  1.0
  Sn  Sn24  1  0.30777466  0.85205796  0.74784374  1.0
  Sn  Sn25  1  0.69222534  0.14794204  0.25215626  1.0
  Sn  Sn26  1  0.19725087  0.35515924  0.25420412  1.0
  Sn  Sn27  1  0.80274913  0.64484076  0.74579588  1.0
  Sn  Sn28  1  0.18126798  0.45626449  0.54258541  1.0
  Sn  Sn29  1  0.81873202  0.54373551  0.45741459  1.0
  Sn  Sn30  1  0.33215384  0.95839047  0.45749261  1.0
  Sn  Sn31  1  0.83109148  0.54360025  0.04414701  1.0
  Sn  Sn32  1  0.66784616  0.04160953  0.54250739  1.0
  Sn  Sn33  1  0.16890852  0.45639975  0.95585299  1.0
  Sn  Sn34  1  0.66796695  0.04292323  0.95572210  1.0
  Sn  Sn35  1  0.33203305  0.95707677  0.04427790  1.0