data_[Ca2Mg4Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9192]
_cell_length_b [16.4702]
_cell_length_c [4.4190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(MgSn4)2]
_chemical_formula_sum '[Ca2 Mg4 Sn16]'
_cell_volume [612.3471]
_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  2  0.0000  0.0000  0.5000  1
  Mg  Mg1  4  0.0000  0.3378  0.0000  1
  Sn  Sn2  8  0.1991  0.1312  0.1589  1
  Sn  Sn3  4  0.0000  0.2191  0.5000  1
  Sn  Sn4  4  0.1213  0.5000  0.3407  1
]