data_[Sr4Cd4Ga12]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6237]
_cell_length_b [24.3887]
_cell_length_c [4.3258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrCdGa3]
_chemical_formula_sum '[Sr4 Cd4 Ga12]'
_cell_volume [487.8009]
_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  0.0793  0.2500  1.0
  Cd  Cd1  4  0.0000  0.2020  0.7500  1.0
  Ga  Ga2  4  0.0000  0.3123  0.7500  1.0
  Ga  Ga3  4  0.0000  0.3704  0.2500  1.0
  Ga  Ga4  4  0.0000  0.4742  0.2500  1.0
]