data_[Er2Zn22Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2259]
_cell_length_b [13.0406]
_cell_length_c [6.5413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErZn11Tc]
_chemical_formula_sum '[Er2 Zn22 Tc2]'
_cell_volume [414.7630]
_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
[
  Er  Er0  2  0.0000  0.0000  0.0000  1
  Zn  Zn1  8  0.1133  0.3897  0.2166  1
  Zn  Zn2  8  0.1571  0.1721  0.3570  1
  Zn  Zn3  4  0.2500  0.2500  0.0000  1
  Zn  Zn4  2  0.0000  0.5000  0.5000  1
  Tc  Tc5  2  0.0000  0.0000  0.5000  1
]