# generated using pymatgen
data_Zr3Sc(NbP)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57283666
_cell_length_b   6.91878530
_cell_length_c   8.33862551
_cell_angle_alpha   90.18292362
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Sc(NbP)4
_chemical_formula_sum   'Zr3 Sc1 Nb4 P4'
_cell_volume   206.12718554
_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
  Zr  Zr0  1  0.75000000  0.96495331  0.33087188  1.0
  Zr  Zr1  1  0.25000000  0.03437847  0.66702149  1.0
  Zr  Zr2  1  0.75000000  0.46498553  0.16790642  1.0
  Sc  Sc3  1  0.25000000  0.53428548  0.83437822  1.0
  Nb  Nb4  1  0.25000000  0.13811816  0.05984881  1.0
  Nb  Nb5  1  0.75000000  0.86269223  0.94037126  1.0
  Nb  Nb6  1  0.25000000  0.64009677  0.43957991  1.0
  Nb  Nb7  1  0.75000000  0.36155557  0.55952830  1.0
  P  P8  1  0.75000000  0.73699208  0.64363845  1.0
  P  P9  1  0.25000000  0.76096954  0.14040517  1.0
  P  P10  1  0.75000000  0.23969808  0.85743477  1.0
  P  P11  1  0.25000000  0.26127479  0.35901533  1.0