data_[Er16Al4Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4636]
_cell_length_b [12.6717]
_cell_length_c [6.1218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er4AlTc]
_chemical_formula_sum '[Er16 Al4 Tc4]'
_cell_volume [626.7567]
_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  8  0.1074  0.1712  0.5466  1
  Er  Er1  8  0.2133  0.4219  0.8933  1
  Al  Al2  4  0.0000  0.3750  0.2500  1
  Tc  Tc3  4  0.0000  0.0009  0.7500  1
]