data_[Er36Tc3Sn18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tc  1.9000  1.3500  0.7417
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.0465]
_cell_length_b [13.0465]
_cell_length_c [12.0783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Er12TcSn6]
_chemical_formula_sum '[Er36 Tc3 Sn18]'
_cell_volume [1780.4202]
_cell_formula_units_Z [3]
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  18  0.0315  0.8361  0.3916  1
  Er  Er1  18  0.0622  0.8652  0.8831  1
  Tc  Tc2  3  0.0000  0.0000  0.0000  1
  Sn  Sn3  18  0.0459  0.7644  0.6416  1
]