data_[Ca16Ga2Sn4]
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 [C2/m]
_cell_length_a [18.8543]
_cell_length_b [5.4005]
_cell_length_c [7.4153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca8GaSn2]
_chemical_formula_sum '[Ca16 Ga2 Sn4]'
_cell_volume [711.9172]
_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
[
  Ca  Ca0  4  0.0224  0.0000  0.7871  1.0
  Ca  Ca1  4  0.0970  0.5000  0.4332  1.0
  Ca  Ca2  4  0.1560  0.5000  0.9449  1.0
  Ca  Ca3  4  0.2014  0.0000  0.2846  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn5  4  0.1837  0.0000  0.7006  1.0
]