data_[Er1Pu1In2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6810]
_cell_length_b [4.4238]
_cell_length_c [8.4566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ErPu(InTe2)2]
_chemical_formula_sum '[Er1 Pu1 In2 Te4]'
_cell_volume [274.0245]
_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
[
  Er  Er0  1  0.0000  0.0000  0.0000  1
  Pu  Pu1  1  0.5000  0.5000  0.0000  1
  In  In2  1  0.0000  0.5000  0.5000  1
  In  In3  1  0.5000  0.0000  0.5000  1
  Te  Te4  2  0.2331  0.5000  0.2189  1
  Te  Te5  2  0.2548  0.0000  0.7800  1
]