data_[Sr4Zr4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6998]
_cell_length_b [24.2976]
_cell_length_c [5.9249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrZrTe4]
_chemical_formula_sum '[Sr4 Zr4 Te16]'
_cell_volume [820.5508]
_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  0.0000  0.1277  0.2500  1
  Zr  Zr1  4  0.0000  0.4190  0.2500  1
  Te  Te2  8  0.0000  0.3139  0.0071  1
  Te  Te3  4  0.0000  0.0647  0.7500  1
  Te  Te4  4  0.0000  0.4553  0.7500  1
]