data_[Sr6Cd4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1149]
_cell_length_b [4.3867]
_cell_length_c [6.9409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(CdP2)2]
_chemical_formula_sum '[Sr6 Cd4 P8]'
_cell_volume [454.0174]
_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
[
  Sr  Sr0  4  0.1415  0.0000  0.5695  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.1682  0.5000  0.9730  1.0
  P  P3  4  0.0023  0.5000  0.6654  1.0
  P  P4  4  0.2073  0.0000  0.2059  1.0
]