data_[Cs4Tm4Ni4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.2086]
_cell_length_b [4.1976]
_cell_length_c [15.3077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsTmNiSe3]
_chemical_formula_sum '[Cs4 Tm4 Ni4 Se12]'
_cell_volume [655.9606]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.0365  0.2500  0.8387  1
  Tm  Tm1  4  0.1482  0.7500  0.5642  1
  Ni  Ni2  4  0.1511  0.2500  0.3668  1
  Se  Se3  4  0.0405  0.7500  0.3901  1
  Se  Se4  4  0.2073  0.7500  0.9940  1
  Se  Se5  4  0.2334  0.2500  0.2251  1
]