data_[Ca6Co8Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8800]
_cell_length_b [4.0839]
_cell_length_c [23.5347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca3(CoSi)4]
_chemical_formula_sum '[Ca6 Co8 Si8]'
_cell_volume [372.9219]
_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  0.0000  0.0000  0.3527  1
  Ca  Ca1  2  0.0000  0.5000  0.0000  1
  Co  Co2  4  0.0000  0.0000  0.1013  1
  Co  Co3  4  0.0000  0.5000  0.2486  1
  Si  Si4  4  0.0000  0.0000  0.2007  1
  Si  Si5  4  0.0000  0.5000  0.4481  1
]