data_[Er1Hf1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8413]
_cell_length_b [4.0652]
_cell_length_c [7.1784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ErHfTe4]
_chemical_formula_sum '[Er1 Hf1 Te4]'
_cell_volume [199.6171]
_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  0.5000  0.5000  1
  Hf  Hf1  1  0.0000  0.0000  0.0000  1
  Te  Te2  2  0.2568  0.5000  0.8488  1
  Te  Te3  2  0.2636  0.0000  0.3191  1
]