data_[Er20Mg8Tc8]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.5542]
_cell_length_b [7.2820]
_cell_length_c [7.4348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er5(MgTc)2]
_chemical_formula_sum '[Er20 Mg8 Tc8]'
_cell_volume [950.3807]
_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
[
  Er  Er0  16  0.1147  0.1827  0.6848  1
  Er  Er1  4  0.0000  0.0000  0.0000  1
  Mg  Mg2  8  0.2320  0.0000  0.0000  1
  Tc  Tc3  8  0.0000  0.1111  0.3809  1
]