data_EuMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   10.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuMg2
_chemical_formula_sum   'Eu4 Mg8'
_cell_volume   351.98
_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
  Eu  Eu0  1  0.12  0.8  0.79  1.0
  Eu  Eu1  1  0.0  0.61  0.64  1.0
  Eu  Eu2  1  0.0  0.61  0.58  1.0
  Eu  Eu3  1  0.12  0.8  0.85  1.0
  Mg  Mg4  1  0.0  0.0  0.0  1.0
  Mg  Mg5  1  0.0  0.0  0.21  1.0
  Mg  Mg6  1  0.0  0.82  0.82  1.0
  Mg  Mg7  1  0.55  0.5  0.82  1.0
  Mg  Mg8  1  0.45  0.5  0.82  1.0
  Mg  Mg9  1  0.12  0.59  0.61  1.0
  Mg  Mg10  1  0.58  0.91  0.61  1.0
  Mg  Mg11  1  0.67  0.91  0.61  1.0

data_EuMg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   10.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuMg2
_chemical_formula_sum   'Eu4 Mg8'
_cell_volume   351.98
_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
  Eu  Eu0  1  0.0  0.61  0.58  1.0
  Eu  Eu1  1  0.0  0.61  0.64  1.0
  Eu  Eu2  1  0.12  0.8  0.79  1.0
  Eu  Eu3  1  0.12  0.8  0.85  1.0
  Mg  Mg4  1  0.0  0.0  0.0  1.0
  Mg  Mg5  1  0.0  0.0  0.21  1.0
  Mg  Mg6  1  0.0  0.82  0.82  1.0
  Mg  Mg7  1  0.12  0.59  0.61  1.0
  Mg  Mg8  1  0.45  0.5  0.82  1.0
  Mg  Mg9  1  0.55  0.5  0.82  1.0
  Mg  Mg10  1  0.58  0.91  0.61  1.0
  Mg  Mg11  1  0.67  0.91  0.61  1.0

Eu Eu Eu Eu Mg Mg Mg Mg Mg Mg Mg Mg
Eu Eu Eu Eu Mg Mg Mg Mg Mg Mg Mg Mg 0 3 o o o 0 6 o o o 1 2 o o o 1 9 o o o 2 9 o o o 3 4 o + + 3 6 o o o 4 6 o - - 4 5 o o o 7 8 o o o 10 11 o o o 