data_[Er2Mg6Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.1193]
_cell_length_b [8.1193]
_cell_length_c [4.2568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Er2(Mg2Ge)3]
_chemical_formula_sum '[Er2 Mg6 Ge3]'
_cell_volume [243.0236]
_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
[
  Er  Er0  2  0.3333  0.6667  0.0000  1
  Mg  Mg1  3  0.0000  0.2073  0.0000  1
  Mg  Mg2  3  0.0000  0.7138  0.5000  1
  Ge  Ge3  3  0.0000  0.3968  0.5000  1
]