# generated using pymatgen
data_Ca2Sc3Ni9As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86647646
_cell_length_b   9.70619732
_cell_length_c   9.70619870
_cell_angle_alpha   119.99999469
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Sc3Ni9As7
_chemical_formula_sum   'Ca2 Sc3 Ni9 As7'
_cell_volume   315.46001485
_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  0.00000000  0.66666700  0.33333300  1.0
  Ca  Ca1  1  0.50000000  0.33333300  0.66666700  1.0
  Sc  Sc2  1  0.50000000  0.76746203  0.88538625  1.0
  Sc  Sc3  1  0.50000000  0.11792522  0.23253797  1.0
  Sc  Sc4  1  0.50000000  0.11461375  0.88207478  1.0
  Ni  Ni5  1  0.00000000  0.58252574  0.93536740  1.0
  Ni  Ni6  1  0.00000000  0.35284066  0.41747426  1.0
  Ni  Ni7  1  0.00000000  0.06463260  0.64715934  1.0
  Ni  Ni8  1  0.00000000  0.87203365  0.15541432  1.0
  Ni  Ni9  1  0.00000000  0.28338167  0.12796635  1.0
  Ni  Ni10  1  0.00000000  0.84458568  0.71661833  1.0
  Ni  Ni11  1  0.50000000  0.94665495  0.39065905  1.0
  Ni  Ni12  1  0.50000000  0.44400310  0.05334505  1.0
  Ni  Ni13  1  0.50000000  0.60934095  0.55599690  1.0
  As  As14  1  0.50000000  0.71394500  0.13054832  1.0
  As  As15  1  0.50000000  0.41660532  0.28605500  1.0
  As  As16  1  0.50000000  0.86945168  0.58339468  1.0
  As  As17  1  0.00000000  0.00000000  0.00000000  1.0
  As  As18  1  0.00000000  0.57573321  0.67741864  1.0
  As  As19  1  0.00000000  0.10168543  0.42426679  1.0
  As  As20  1  0.00000000  0.32258136  0.89831457  1.0