data_[Te8As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.1809]
_cell_length_b [3.9003]
_cell_length_c [8.6933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Te2As]
_chemical_formula_sum '[Te8 As4]'
_cell_volume [440.8033]
_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
[
  Te  Te0  2  0.0172  0.0000  0.4105  1
  Te  Te1  2  0.2227  0.5000  0.0629  1
  Te  Te2  2  0.3170  0.0000  0.2880  1
  Te  Te3  2  0.4604  0.0000  0.7995  1
  As  As4  2  0.0491  0.0000  0.9988  1
  As  As5  2  0.1003  0.5000  0.6070  1
]