data_[Ce2Er6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.4617]
_cell_length_b [4.3701]
_cell_length_c [12.7819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce(ErTe2)3]
_chemical_formula_sum '[Ce2 Er6 Te12]'
_cell_volume [656.9799]
_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
[
  Ce  Ce0  2  0.0474  0.7500  0.6975  1.0
  Er  Er1  2  0.1550  0.7500  0.0825  1.0
  Er  Er2  2  0.3181  0.2500  0.4992  1.0
  Er  Er3  2  0.4364  0.7500  0.8354  1.0
  Te  Te4  2  0.0850  0.2500  0.9042  1.0
  Te  Te5  2  0.1173  0.7500  0.4668  1.0
  Te  Te6  2  0.1966  0.2500  0.2504  1.0
  Te  Te7  2  0.2595  0.2500  0.7240  1.0
  Te  Te8  2  0.3909  0.7500  0.0597  1.0
  Te  Te9  2  0.4827  0.7500  0.6170  1.0
]