data_[Be1Zn1Te2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.7026]
_cell_length_b [3.7793]
_cell_length_c [6.1362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeZnTe2S]
_chemical_formula_sum '[Be1 Zn1 Te2 S1]'
_cell_volume [128.3733]
_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
[
  Be  Be0  1  0.1173  0.5000  0.0459  1
  Zn  Zn1  1  0.8668  0.0000  0.3900  1
  Te  Te2  1  0.1689  0.5000  0.6329  1
  Te  Te3  1  0.4967  0.5000  0.3484  1
  S  S4  1  0.9347  0.0000  0.0274  1
]