data_[Ce2Te2H1F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2524]
_cell_length_b [4.2524]
_cell_length_c [8.8411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ce2Te2HF]
_chemical_formula_sum '[Ce2 Te2 H1 F1]'
_cell_volume [138.4511]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.0000  1
  Ce  Ce1  1  0.6667  0.3333  0.5000  1
  Te  Te2  2  0.3333  0.6667  0.2444  1
  H  H3  1  0.6667  0.3333  0.0000  1
  F  F4  1  0.0000  0.0000  0.5000  1
]