data_[Tl2Co3Ni1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.8461]
_cell_length_b [3.8461]
_cell_length_c [13.8139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Tl2Co3NiSe4]
_chemical_formula_sum '[Tl2 Co3 Ni1 Se4]'
_cell_volume [204.3441]
_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
[
  Tl  Tl0  2  0.0000  0.5000  0.2498  1.0
  Co  Co1  1  0.0000  0.0000  0.0000  1.0
  Co  Co2  1  0.0000  0.0000  0.5000  1.0
  Co  Co3  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni4  1  0.5000  0.5000  0.0000  1.0
  Se  Se5  2  0.0000  0.5000  0.5951  1.0
  Se  Se6  2  0.0000  0.5000  0.8982  1.0
]