# generated using pymatgen
data_Sc2Ni12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91820380
_cell_length_b   8.91799310
_cell_length_c   3.57676635
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99746160
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ni12P7
_chemical_formula_sum   'Sc2 Ni12 P7'
_cell_volume   246.36376685
_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
  Sc  Sc0  1  0.66667277  0.33334293  0.50000000  1.0
  Sc  Sc1  1  0.33334503  0.66666707  -0.00000000  1.0
  Ni  Ni2  1  0.38275721  0.43424901  0.50000000  1.0
  Ni  Ni3  1  0.05149623  0.61723323  0.50000000  1.0
  Ni  Ni4  1  0.21942425  0.09417978  0.50000000  1.0
  Ni  Ni5  1  0.87477474  0.78060174  0.50000000  1.0
  Ni  Ni6  1  0.90582202  0.12526952  0.50000000  1.0
  Ni  Ni7  1  0.72408247  0.87838955  -0.00000000  1.0
  Ni  Ni8  1  0.12160520  0.84569140  -0.00000000  1.0
  Ni  Ni9  1  0.15430436  0.27587862  0.00000000  1.0
  Ni  Ni10  1  0.93653929  0.37196704  -0.00000000  1.0
  Ni  Ni11  1  0.62801676  0.56459026  0.00000000  1.0
  Ni  Ni12  1  0.43542379  0.06345684  -0.00000000  1.0
  Ni  Ni13  1  0.56573602  0.94850929  0.50000000  1.0
  P  P14  1  -0.00000237  -0.00001341  -0.00000000  1.0
  P  P15  1  0.41235818  0.29496333  -0.00000000  1.0
  P  P16  1  0.58925398  0.70623340  0.50000000  1.0
  P  P17  1  0.29375305  0.88301000  0.50000000  1.0
  P  P18  1  0.11699574  0.41074343  0.50000000  1.0
  P  P19  1  0.70502489  0.11740416  -0.00000000  1.0
  P  P20  1  0.88261538  0.58763478  -0.00000000  1.0