data_[Te8As2P2]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [14.2688]
_cell_length_b [4.0095]
_cell_length_c [21.1082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Te4AsP]
_chemical_formula_sum '[Te8 As2 P2]'
_cell_volume [1207.6042]
_cell_formula_units_Z [2]
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  0.0096  0.7500  0.9140  1
  Te  Te1  2  0.2232  0.7500  0.1447  1
  Te  Te2  2  0.2369  0.2500  0.9812  1
  Te  Te3  2  0.4278  0.7500  0.9913  1
  As  As4  2  0.1035  0.7500  0.0313  1
  P  P5  2  0.3124  0.2500  0.0896  1
]