data_[Li1Ce2Hf1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5393]
_cell_length_b [3.9487]
_cell_length_c [6.9323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiCe2HfP4]
_chemical_formula_sum '[Li1 Ce2 Hf1 P4]'
_cell_volume [168.0639]
_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
[
  Li  Li0  1  0.0000  0.5000  0.5000  1.0
  Ce  Ce1  1  0.5000  0.0000  0.5000  1.0
  Ce  Ce2  1  0.5000  0.5000  0.0000  1.0
  Hf  Hf3  1  0.0000  0.0000  0.0000  1.0
  P  P4  2  0.2299  0.5000  0.2373  1.0
  P  P5  2  0.2347  0.0000  0.7551  1.0
]