data_[Sr4Ca4Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0631]
_cell_length_b [30.0541]
_cell_length_c [4.9666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrCaCd3]
_chemical_formula_sum '[Sr4 Ca4 Cd12]'
_cell_volume [606.4925]
_cell_formula_units_Z [4]
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  0.0000  0.0744  0.7500  1
  Ca  Ca1  4  0.0000  0.2100  0.2500  1
  Cd  Cd2  4  0.0000  0.3222  0.2500  1
  Cd  Cd3  4  0.0000  0.3771  0.7500  1
  Cd  Cd4  4  0.0000  0.4749  0.7500  1
]