data_[Er2Sn6Te12]
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 [P2_1/m]
_cell_length_a [12.6944]
_cell_length_b [4.2688]
_cell_length_c [13.1157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er(SnTe2)3]
_chemical_formula_sum '[Er2 Sn6 Te12]'
_cell_volume [656.5091]
_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  0.2959  0.2500  0.9512  1.0
  Sn  Sn1  2  0.1120  0.7500  0.1631  1.0
  Sn  Sn2  2  0.1570  0.2500  0.5445  1.0
  Sn  Sn3  2  0.4524  0.7500  0.7074  1.0
  Te  Te4  2  0.0560  0.7500  0.3766  1.0
  Te  Te5  2  0.1025  0.7500  0.9298  1.0
  Te  Te6  2  0.2440  0.7500  0.7605  1.0
  Te  Te7  2  0.2865  0.2500  0.1957  1.0
  Te  Te8  2  0.3900  0.2500  0.5339  1.0
  Te  Te9  2  0.4744  0.7500  0.0954  1.0
]