data_[Ta3Te2As3]
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 [Pm]
_cell_length_a [7.5563]
_cell_length_b [3.5117]
_cell_length_c [19.0541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta3Te2As3]
_chemical_formula_sum '[Ta3 Te2 As3]'
_cell_volume [505.6039]
_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  0.1206  0.5000  0.5029  1
  Ta  Ta1  1  0.4335  0.0000  0.5190  1
  Ta  Ta2  1  0.8248  0.0000  0.5274  1
  Te  Te3  1  0.1324  0.0000  0.6176  1
  Te  Te4  1  0.6134  0.5000  0.6155  1
  As  As5  1  0.3671  0.5000  0.4059  1
  As  As6  1  0.6233  0.0000  0.4048  1
  As  As7  1  0.9810  0.0000  0.4069  1
]