data_[Tc2Ag1Mo1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Ag  1.9300  1.6000  1.0867
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.7499]
_cell_length_b [2.7499]
_cell_length_c [8.3184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Tc2AgMo]
_chemical_formula_sum '[Tc2 Ag1 Mo1]'
_cell_volume [62.9035]
_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
[
  Tc  Tc0  1  0.0000  0.0000  0.0101  1
  Tc  Tc1  1  0.5000  0.5000  0.2256  1
  Ag  Ag2  1  0.0000  0.0000  0.4963  1
  Mo  Mo3  1  0.5000  0.5000  0.7679  1
]