data_[Li1Ce1Ni2Ge1As1]
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
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1104]
_cell_length_b [4.1104]
_cell_length_c [6.8552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LiCeNi2GeAs]
_chemical_formula_sum '[Li1 Ce1 Ni2 Ge1 As1]'
_cell_volume [100.3050]
_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  0.6667  0.3333  0.4977  1
  Ce  Ce1  1  0.6667  0.3333  0.0035  1
  Ni  Ni2  1  0.0000  0.0000  0.6454  1
  Ni  Ni3  1  0.3333  0.6667  0.3510  1
  Ge  Ge4  1  0.3333  0.6667  0.7088  1
  As  As5  1  0.0000  0.0000  0.2938  1
]