data_[Sc2Cd6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3495]
_cell_length_b [20.5779]
_cell_length_c [8.1906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sc(CdP)3]
_chemical_formula_sum '[Sc2 Cd6 P6]'
_cell_volume [896.7031]
_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  0.3321  0.5000  0.6811  1
  Sc  Sc1  1  0.7718  0.5000  0.3106  1
  Cd  Cd2  2  0.0961  0.3645  0.4423  1
  Cd  Cd3  2  0.6282  0.3685  0.5910  1
  Cd  Cd4  1  0.3323  0.5000  0.0656  1
  Cd  Cd5  1  0.8505  0.5000  0.9286  1
  P  P6  2  0.4025  0.3938  0.8896  1
  P  P7  2  0.7093  0.4000  0.0904  1
  P  P8  1  0.2623  0.5000  0.3610  1
  P  P9  1  0.8222  0.5000  0.6267  1
]