data_[Be4Tl4Zn4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3166]
_cell_length_b [3.9250]
_cell_length_c [10.1265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeTlZnAs2]
_chemical_formula_sum '[Be4 Tl4 Zn4 As8]'
_cell_volume [434.8854]
_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
[
  Be  Be0  4  0.2005  0.5000  0.0356  1.0
  Tl  Tl1  4  0.0789  0.5000  0.4176  1.0
  Zn  Zn2  4  0.1100  0.0000  0.1536  1.0
  As  As3  4  0.0987  0.0000  0.8880  1.0
  As  As4  4  0.2414  0.5000  0.2934  1.0
]