data_[Cd8Cu7P30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4514]
_cell_length_b [7.4576]
_cell_length_c [18.2880]
_cell_angle_alpha [89.7801]
_cell_angle_beta [89.7787]
_cell_angle_gamma [60.0597]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cd8Cu7P30]
_chemical_formula_sum '[Cd8 Cu7 P30]'
_cell_volume [880.6248]
_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
[
  Cd  Cd0  1  0.0001  0.0010  0.5946  1
  Cd  Cd1  1  0.2070  0.5866  0.8036  1
  Cd  Cd2  1  0.2082  0.2028  0.8017  1
  Cd  Cd3  1  0.3459  0.3158  0.9302  1
  Cd  Cd4  1  0.5394  0.5402  0.1332  1
  Cd  Cd5  1  0.6539  0.6938  0.2554  1
  Cd  Cd6  1  0.8711  0.2579  0.4644  1
  Cd  Cd7  1  0.8726  0.8732  0.4677  1
  Cu  Cu8  1  0.0094  0.4866  0.1253  1
  Cu  Cu9  1  0.2984  0.8513  0.4629  1
  Cu  Cu10  1  0.3279  0.3365  0.3342  1
  Cu  Cu11  1  0.4930  0.9956  0.1291  1
  Cu  Cu12  1  0.6327  0.1814  0.7966  1
  Cu  Cu13  1  0.6618  0.6686  0.6685  1
  Cu  Cu14  1  0.9988  0.9960  0.0008  1
  P  P15  1  0.0042  0.4979  0.6250  1
  P  P16  1  0.0133  0.4936  0.5046  1
  P  P17  1  0.1482  0.6754  0.1705  1
  P  P18  1  0.1585  0.1652  0.2901  1
  P  P19  1  0.1597  0.1569  0.1690  1
  P  P20  1  0.1599  0.6779  0.2914  1
  P  P21  1  0.1718  0.6526  0.6639  1
  P  P22  1  0.1724  0.1750  0.6632  1
  P  P23  1  0.3086  0.8480  0.3363  1
  P  P24  1  0.3319  0.3348  0.4623  1
  P  P25  1  0.3423  0.8270  0.9604  1
  P  P26  1  0.3494  0.8246  0.8399  1
  P  P27  1  0.4790  0.0112  0.5031  1
  P  P28  1  0.4792  0.5107  0.5032  1
  P  P29  1  0.4938  0.4961  0.6247  1
  P  P30  1  0.4943  0.0092  0.6244  1
  P  P31  1  0.5100  0.5026  0.9961  1
  P  P32  1  0.5111  0.9749  0.0051  1
  P  P33  1  0.6460  0.1763  0.6695  1
  P  P34  1  0.6666  0.6659  0.7965  1
  P  P35  1  0.6684  0.1682  0.2889  1
  P  P36  1  0.6736  0.1484  0.1686  1
  P  P37  1  0.8124  0.8420  0.8385  1
  P  P38  1  0.8142  0.3411  0.8361  1
  P  P39  1  0.8282  0.8251  0.9601  1
  P  P40  1  0.8318  0.3367  0.9574  1
  P  P41  1  0.8321  0.3299  0.3248  1
  P  P42  1  0.8369  0.8474  0.3291  1
  P  P43  1  0.9859  0.5025  0.0009  1
  P  P44  1  0.9965  0.9955  0.1281  1
]