data_[Ca24Ga8Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.9802]
_cell_length_b [10.1271]
_cell_length_c [11.0852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca6Ga2Sn]
_chemical_formula_sum '[Ca24 Ga8 Sn4]'
_cell_volume [1120.3862]
_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
[
  Ca  Ca0  8  0.0000  0.1970  0.2480  1.0
  Ca  Ca1  8  0.1919  0.5000  0.1673  1.0
  Ca  Ca2  8  0.2234  0.3177  0.5000  1.0
  Ga  Ga3  4  0.0000  0.3321  0.0000  1.0
  Ga  Ga4  4  0.0000  0.5000  0.3847  1.0
  Sn  Sn5  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn6  2  0.0000  0.0000  0.5000  1.0
]