data_[Er6Tc2Sn2]
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 [P-1]
_cell_length_a [3.5044]
_cell_length_b [8.5122]
_cell_length_c [8.9608]
_cell_angle_alpha [96.6782]
_cell_angle_beta [90.7713]
_cell_angle_gamma [101.0265]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er3TcSn]
_chemical_formula_sum '[Er6 Tc2 Sn2]'
_cell_volume [260.4111]
_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  0.1276  0.7017  0.0624  1
  Er  Er1  2  0.2428  0.9914  0.7020  1
  Er  Er2  2  0.4393  0.3887  0.3002  1
  Tc  Tc3  2  0.2828  0.0995  0.0722  1
  Sn  Sn4  2  0.1061  0.7163  0.4178  1
]