data_YbMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbMg2
_chemical_formula_sum   'Yb2 Mg4'
_cell_volume   254.07
_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
  Yb  Yb4  1  0.0  0.0  0.0  1.0
  Yb  Yb5  1  0.25  0.25  0.01  1.0
  Mg  Mg0  1  0.22  0.22  0.0  1.0
  Mg  Mg1  1  0.27  0.27  0.0  1.0
  Mg  Mg2  1  0.47  0.02  0.01  1.0
  Mg  Mg3  1  0.02  0.47  0.01  1.0

data_YbMg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.19
_cell_length_b   9.19
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YbMg2
_chemical_formula_sum   'Yb4 Mg8'
_cell_volume   508.14
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Yb  Yb1  2  0.25  0.0  0.01  1.0
  Mg  Mg2  4  0.25  0.22  0.01  1.0
  Mg  Mg3  2  0.22  0.0  -0.0  1.0
  Mg  Mg4  2  0.27  0.0  -0.0  1.0

Yb Yb Mg Mg Mg Mg
Yb Yb Mg Mg Mg Mg 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 1 4 o o o 1 5 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 