data_[Gd4Cu4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5863]
_cell_length_b [5.5780]
_cell_length_c [7.7519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [GdCuSi]
_chemical_formula_sum '[Gd4 Cu4 Si4]'
_cell_volume [222.7020]
_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
[
  Gd  Gd0  4  0.1985  0.1268  0.8713  1
  Si  Si1  4  0.2127  0.6214  0.0277  1
  Cu  Cu2  4  0.3992  0.6154  0.7906  1
]