data_Ho3(CuSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   149.49
_cell_angle_beta   130.71
_cell_angle_gamma   59.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3(CuSi)4
_chemical_formula_sum   'Ho3 Cu4 Si4'
_cell_volume   182.58
_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
  Ho  Ho4  1  0.0  0.0  0.0  1.0
  Ho  Ho5  1  0.0  0.26  0.75  1.0
  Ho  Ho6  1  0.06  0.0  0.05  1.0
  Cu  Cu0  1  0.0  0.01  0.1  1.0
  Cu  Cu1  1  0.06  0.25  0.3  1.0
  Cu  Cu2  1  0.0  0.01  0.5  1.0
  Cu  Cu3  1  0.06  0.25  0.7  1.0
  Si  Si7  1  0.0  0.21  0.8  1.0
  Si  Si8  1  0.06  0.06  0.0  1.0
  Si  Si9  1  0.0  0.0  0.95  1.0
  Si  Si10  1  0.0  0.0  0.66  1.0

data_Ho3(CuSi)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   6.52
_cell_length_c   7.82
_cell_angle_alpha   114.65
_cell_angle_beta   105.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3(CuSi)4
_chemical_formula_sum   'Ho3 Cu4 Si4'
_cell_volume   182.58
_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
  Ho  Ho0  1  0.0  0.0  0.0  1.0
  Ho  Ho1  1  0.0  0.05  0.99  1.0
  Ho  Ho2  1  0.74  0.49  0.49  1.0
  Si  Si3  1  0.0  0.66  0.66  1.0
  Si  Si4  1  0.0  0.95  0.95  1.0
  Cu  Cu5  1  0.75  0.05  1.0  1.0
  Cu  Cu6  1  0.75  0.45  0.39  1.0
  Si  Si7  1  0.79  0.6  0.6  1.0
  Si  Si8  1  0.94  0.94  0.89  1.0
  Cu  Cu9  1  0.99  0.09  0.09  1.0
  Cu  Cu10  1  0.99  0.49  0.49  1.0

Ho Ho Ho Cu Cu Cu Cu Si Si Si Si
Ho Ho Ho Cu Cu Cu Cu Si Si Si Si 0 2 o o o 0 3 o o o 0 4 o o o 0 9 o o - 1 6 o o o 1 7 o o o 1 5 o o o 2 3 o o o 2 4 o o o 3 4 o o o 5 6 o o o 7 10 o o o 8 9 o o - 