# generated using pymatgen
data_Sc3Be(Ni4P3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59553264
_cell_length_b   10.26334143
_cell_length_c   12.06425968
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Be(Ni4P3)2
_chemical_formula_sum   'Sc6 Be2 Ni16 P12'
_cell_volume   445.19747159
_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
  Sc  Sc0  1  0.75132805  0.00000000  0.47650019  1.0
  Sc  Sc1  1  0.25132805  0.50000000  0.52349981  1.0
  Sc  Sc2  1  0.25198030  0.67953852  0.79424865  1.0
  Sc  Sc3  1  0.25198030  0.32046148  0.79424865  1.0
  Sc  Sc4  1  0.75198030  0.82046148  0.20575135  1.0
  Sc  Sc5  1  0.75198030  0.17953852  0.20575135  1.0
  Be  Be6  1  0.75236228  0.00000000  0.01306441  1.0
  Be  Be7  1  0.25236228  0.50000000  0.98693559  1.0
  Ni  Ni8  1  0.25175078  0.19783291  0.56782112  1.0
  Ni  Ni9  1  0.25175078  0.80216709  0.56782112  1.0
  Ni  Ni10  1  0.75175078  0.30216709  0.43217888  1.0
  Ni  Ni11  1  0.75175078  0.69783291  0.43217888  1.0
  Ni  Ni12  1  0.25132742  0.62382416  0.29219690  1.0
  Ni  Ni13  1  0.25132742  0.37617584  0.29219690  1.0
  Ni  Ni14  1  0.75132742  0.87617584  0.70780310  1.0
  Ni  Ni15  1  0.75132742  0.12382416  0.70780310  1.0
  Ni  Ni16  1  0.25382198  0.16011013  0.00344336  1.0
  Ni  Ni17  1  0.25382198  0.83988987  0.00344336  1.0
  Ni  Ni18  1  0.75382198  0.33988987  0.99655664  1.0
  Ni  Ni19  1  0.75382198  0.66011013  0.99655664  1.0
  Ni  Ni20  1  0.24797245  0.00000000  0.84031789  1.0
  Ni  Ni21  1  0.74797245  0.50000000  0.15968211  1.0
  Ni  Ni22  1  0.25172821  0.00000000  0.30049896  1.0
  Ni  Ni23  1  0.75172821  0.50000000  0.69950104  1.0
  P  P24  1  0.25150590  0.18321124  0.38357313  1.0
  P  P25  1  0.25150590  0.81678876  0.38357313  1.0
  P  P26  1  0.75150590  0.31678876  0.61642687  1.0
  P  P27  1  0.75150590  0.68321124  0.61642687  1.0
  P  P28  1  0.25201776  0.00000000  0.12558740  1.0
  P  P29  1  0.75201776  0.50000000  0.87441260  1.0
  P  P30  1  0.25266673  0.65831582  0.11195717  1.0
  P  P31  1  0.25266673  0.34168418  0.11195717  1.0
  P  P32  1  0.75266673  0.84168418  0.88804283  1.0
  P  P33  1  0.75266673  0.15831582  0.88804283  1.0
  P  P34  1  0.25128901  0.00000000  0.64939916  1.0
  P  P35  1  0.75128901  0.50000000  0.35060084  1.0