data_[Zr2Sc10P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0494]
_cell_length_b [3.7146]
_cell_length_c [7.2872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrSc5P4]
_chemical_formula_sum '[Zr2 Sc10 P8]'
_cell_volume [418.8755]
_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
[
  Zr  Zr0  2  0.0000  0.5000  0.0000  1
  Sc  Sc1  4  0.1640  0.0000  0.8441  1
  Sc  Sc2  4  0.1696  0.0000  0.3430  1
  Sc  Sc3  2  0.0000  0.5000  0.5000  1
  P  P4  4  0.0034  0.0000  0.2583  1
  P  P5  4  0.1712  0.5000  0.0983  1
]