data_[Hf1Cr1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6604]
_cell_length_b [3.9297]
_cell_length_c [6.7706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HfCrTe4]
_chemical_formula_sum '[Hf1 Cr1 Te4]'
_cell_volume [177.2008]
_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  0.5000  0.5000  0.0000  1.0
  Cr  Cr1  1  0.0000  0.0000  0.0000  1.0
  Te  Te2  2  0.1508  0.5000  0.2415  1.0
  Te  Te3  2  0.3207  0.0000  0.7426  1.0
]