data_[Sr4Li4Lu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Lu  1.2700  1.7500  1.0010
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.6826]
_cell_length_b [4.4000]
_cell_length_c [11.4867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrLiLuTe3]
_chemical_formula_sum '[Sr4 Li4 Lu4 Te12]'
_cell_volume [742.0797]
_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
[
  Sr  Sr0  4  0.2252  0.2500  0.5407  1
  Li  Li1  4  0.0068  0.7500  0.5909  1
  Lu  Lu2  4  0.0159  0.2500  0.8320  1
  Te  Te3  4  0.1036  0.7500  0.3824  1
  Te  Te4  4  0.1060  0.2500  0.0688  1
  Te  Te5  4  0.1453  0.7500  0.7541  1
]