data_[Ta3Te4As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6847]
_cell_length_b [7.9399]
_cell_length_c [19.1446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0459]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ta3(Te2As)2]
_chemical_formula_sum '[Ta3 Te4 As2]'
_cell_volume [712.1070]
_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
[
  Ta  Ta0  1  0.3245  0.1792  0.4725  1
  Ta  Ta1  1  0.3570  0.7875  0.4974  1
  Ta  Ta2  1  0.8153  0.0045  0.5229  1
  Te  Te3  1  0.2898  0.0026  0.6173  1
  Te  Te4  1  0.3943  0.5070  0.4142  1
  Te  Te5  1  0.6072  0.3080  0.5895  1
  Te  Te6  1  0.8947  0.6725  0.5792  1
  As  As7  1  0.0359  0.8945  0.4008  1
  As  As8  1  0.8212  0.1827  0.4062  1
]