data_[La1Ce2Er1Te5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [P4/mmm]
_cell_length_a [5.4835]
_cell_length_b [5.4835]
_cell_length_c [11.8578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LaCe2ErTe5]
_chemical_formula_sum '[La1 Ce2 Er1 Te5]'
_cell_volume [356.5483]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Ce  Ce1  2  0.5000  0.5000  0.3273  1
  Er  Er2  1  0.0000  0.0000  0.5000  1
  Te  Te3  2  0.0000  0.0000  0.2511  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  Te  Te5  1  0.5000  0.5000  0.0000  1
]