data_[Rb2Lu2Ni2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Lu  1.2700  1.7500  1.0010
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.0502]
_cell_length_b [4.2377]
_cell_length_c [10.4490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbLuNiTe3]
_chemical_formula_sum '[Rb2 Lu2 Ni2 Te6]'
_cell_volume [407.6544]
_cell_formula_units_Z [2]
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
[
  Rb  Rb0  2  0.2136  0.7500  0.2466  1.0
  Lu  Lu1  2  0.3249  0.2500  0.8584  1.0
  Ni  Ni2  2  0.0988  0.7500  0.6146  1.0
  Te  Te3  2  0.1133  0.7500  0.8627  1.0
  Te  Te4  2  0.1727  0.2500  0.5306  1.0
  Te  Te5  2  0.4730  0.2500  0.1708  1.0
]