data_[Co4Cu4Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.6314]
_cell_length_b [5.6314]
_cell_length_c [3.8567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Co2Cu2Si]
_chemical_formula_sum '[Co4 Cu4 Si2]'
_cell_volume [122.3069]
_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
[
  Co  Co0  4  0.1396  0.3604  0.0000  1
  Cu  Cu1  4  0.1641  0.6641  0.5000  1
  Si  Si2  2  0.0000  0.0000  0.0000  1
]