data_[Ca8Co4Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3120]
_cell_length_b [4.5796]
_cell_length_c [11.0507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2CoSn2]
_chemical_formula_sum '[Ca8 Co4 Sn8]'
_cell_volume [499.5573]
_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  4  0.0024  0.0000  0.6657  1.0
  Ca  Ca1  4  0.1871  0.0000  0.1052  1.0
  Co  Co2  4  0.2236  0.5000  0.3688  1.0
  Sn  Sn3  4  0.0040  0.5000  0.8661  1.0
  Sn  Sn4  4  0.1618  0.5000  0.5668  1.0
]