data_[Ta1Ag1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.3981]
_cell_length_b [4.0252]
_cell_length_c [18.7853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaAgSe3]
_chemical_formula_sum '[Ta1 Ag1 Se3]'
_cell_volume [483.7874]
_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  0.9091  0.5000  0.4974  1
  Ag  Ag1  1  0.2568  0.0000  0.5087  1
  Se  Se2  1  0.1104  0.5000  0.6039  1
  Se  Se3  1  0.1514  0.5000  0.4024  1
  Se  Se4  1  0.6753  0.0000  0.4876  1
]