data_Yb3(CuSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81
_cell_length_b   7.81
_cell_length_c   7.81
_cell_angle_alpha   149.09
_cell_angle_beta   130.25
_cell_angle_gamma   59.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3(CuSi)4
_chemical_formula_sum   'Yb3 Cu4 Si4'
_cell_volume   185.55
_cell_formula_units_Z   1
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
  Yb  Yb0  1  0.08  0.0  0.99  1.0
  Yb  Yb1  1  0.0  0.29  0.79  1.0
  Yb  Yb2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.03  0.48  1.0
  Cu  Cu4  1  0.08  0.26  0.3  1.0
  Cu  Cu5  1  0.08  0.26  0.7  1.0
  Cu  Cu6  1  0.0  0.03  0.07  1.0
  Si  Si7  1  0.0  0.0  0.96  1.0
  Si  Si8  1  0.0  0.0  0.6  1.0
  Si  Si9  1  0.0  0.17  0.78  1.0
  Si  Si10  1  0.08  0.12  0.0  1.0

data_Yb3(CuSi)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   6.57
_cell_length_c   7.81
_cell_angle_alpha   114.87
_cell_angle_beta   105.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3(CuSi)4
_chemical_formula_sum   'Yb3 Cu4 Si4'
_cell_volume   185.55
_cell_formula_units_Z   1
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
  Yb  Yb0  1  0.0  0.0  0.0  1.0
  Yb  Yb1  1  0.1  0.01  0.1  1.0
  Yb  Yb2  1  0.21  0.5  0.5  1.0
  Si  Si3  1  0.04  0.04  0.04  1.0
  Si  Si4  1  0.08  0.12  0.2  1.0
  Si  Si5  1  0.22  0.39  0.39  1.0
  Cu  Cu6  1  0.38  0.56  0.64  1.0
  Si  Si7  1  0.4  0.4  0.4  1.0
  Cu  Cu8  1  0.52  0.55  0.55  1.0
  Cu  Cu9  1  0.78  0.96  0.04  1.0
  Cu  Cu10  1  0.93  0.95  0.95  1.0

Yb Yb Yb Cu Cu Cu Cu Si Si Si Si