data_YbMgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   4.42
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbMgSi
_chemical_formula_sum   'Yb4 Mg4 Si4'
_cell_volume   271.52
_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
  Yb  Yb0  1  0.14  0.1  0.49  1.0
  Yb  Yb1  1  0.86  0.1  0.63  1.0
  Yb  Yb2  1  0.59  0.31  0.62  1.0
  Yb  Yb3  1  0.31  0.31  0.76  1.0
  Mg  Mg4  1  0.65  0.31  0.53  1.0
  Mg  Mg5  1  0.37  0.31  0.6  1.0
  Mg  Mg6  1  0.08  0.1  0.66  1.0
  Mg  Mg7  1  0.8  0.1  0.72  1.0
  Si  Si8  1  0.44  0.31  0.95  1.0
  Si  Si9  1  0.71  0.31  0.18  1.0
  Si  Si10  1  0.74  0.1  0.07  1.0
  Si  Si11  1  0.01  0.1  0.31  1.0

data_YbMgSi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.42
_cell_length_b   7.45
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YbMgSi
_chemical_formula_sum   'Yb4 Mg4 Si4'
_cell_volume   271.52
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.4  0.14  0.01  1.0
  Yb  Yb1  2  0.4  0.41  0.87  1.0
  Mg  Mg2  2  0.4  0.08  0.1  1.0
  Mg  Mg3  2  0.4  0.35  0.03  1.0
  Si  Si4  2  0.4  0.01  0.45  1.0
  Si  Si5  2  0.4  0.29  0.68  1.0

Yb Yb Yb Yb Mg Mg Mg Mg Si Si Si Si