data_[Hf1Zr1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8307]
_cell_length_b [3.9704]
_cell_length_c [7.0549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HfZrTe4]
_chemical_formula_sum '[Hf1 Zr1 Te4]'
_cell_volume [191.3335]
_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
[
  Hf  Hf0  1  0.0000  0.0000  0.0000  1.0
  Zr  Zr1  1  0.5000  0.5000  0.0000  1.0
  Te  Te2  2  0.1638  0.5000  0.7459  1.0
  Te  Te3  2  0.3309  0.0000  0.2556  1.0
]