data_[Er2Th4Tc18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4975]
_cell_length_b [5.3402]
_cell_length_c [9.1422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErTh2Tc9]
_chemical_formula_sum '[Er2 Th4 Tc18]'
_cell_volume [448.4359]
_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  0.5000  1
  Th  Th1  4  0.1449  0.0000  0.9259  1
  Tc  Tc2  8  0.1674  0.2280  0.2650  1
  Tc  Tc3  4  0.0790  0.5000  0.7550  1
  Tc  Tc4  4  0.1450  0.5000  0.4900  1
  Tc  Tc5  2  0.0000  0.5000  0.0000  1
]