# generated using pymatgen
data_CaNd4ScSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52692079
_cell_length_b   7.52692079
_cell_length_c   4.43938477
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd4ScSi4
_chemical_formula_sum   'Ca1 Nd4 Sc1 Si4'
_cell_volume   251.51128662
_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  0.50000000  0.50000000  0.00000000  1.0
  Nd  Nd1  1  0.67955659  0.17690305  0.50000000  1.0
  Nd  Nd2  1  0.82309695  0.67955659  0.50000000  1.0
  Nd  Nd3  1  0.17690305  0.32044341  0.50000000  1.0
  Nd  Nd4  1  0.32044341  0.82309695  0.50000000  1.0
  Sc  Sc5  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si6  1  0.62345056  0.89532185  0.00000000  1.0
  Si  Si7  1  0.89532185  0.37654944  0.00000000  1.0
  Si  Si8  1  0.10467815  0.62345056  0.00000000  1.0
  Si  Si9  1  0.37654944  0.10467815  0.00000000  1.0