data_[Er10Sn2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6877]
_cell_length_b [6.1195]
_cell_length_c [8.6541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5SnTe5]
_chemical_formula_sum '[Er10 Sn2 Te10]'
_cell_volume [687.5433]
_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  4  0.1617  0.0000  0.3291  1.0
  Er  Er1  4  0.1619  0.0000  0.8322  1.0
  Er  Er2  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  4  0.1662  0.5000  0.8296  1.0
  Te  Te5  4  0.1671  0.5000  0.3370  1.0
  Te  Te6  2  0.0000  0.0000  0.5000  1.0
]