data_[Ce1Tl2Au1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4163]
_cell_length_b [4.0715]
_cell_length_c [8.3656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeTl2AuSe4]
_chemical_formula_sum '[Ce1 Tl2 Au1 Se4]'
_cell_volume [234.0167]
_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  0.5000  0.0000  0.5000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.5000  0.5000  0.0000  1.0
  Au  Au3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  2  0.2099  0.0000  0.6765  1.0
  Se  Se5  2  0.2965  0.5000  0.2686  1.0
]