data_[La2Er6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [12.4832]
_cell_length_b [4.4108]
_cell_length_c [12.8041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(ErTe2)3]
_chemical_formula_sum '[La2 Er6 Te12]'
_cell_volume [665.5847]
_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
[
  La  La0  2  0.0483  0.7500  0.6981  1.0
  Er  Er1  2  0.1558  0.7500  0.0841  1.0
  Er  Er2  2  0.3185  0.2500  0.4994  1.0
  Er  Er3  2  0.4393  0.7500  0.8352  1.0
  Te  Te4  2  0.0844  0.2500  0.9060  1.0
  Te  Te5  2  0.1195  0.7500  0.4672  1.0
  Te  Te6  2  0.1980  0.2500  0.2500  1.0
  Te  Te7  2  0.2630  0.2500  0.7254  1.0
  Te  Te8  2  0.3904  0.7500  0.0581  1.0
  Te  Te9  2  0.4823  0.7500  0.6158  1.0
]