data_[Tl4Ag4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [3.6474]
_cell_length_b [4.5106]
_cell_length_c [14.0729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [TlAgMo]
_chemical_formula_sum '[Tl4 Ag4 Mo4]'
_cell_volume [231.5262]
_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
[
  Tl  Tl0  4  0.0000  0.0000  0.3301  1
  Ag  Ag1  4  0.0000  0.0000  0.0075  1
  Mo  Mo2  4  0.0000  0.0000  0.6624  1
]