data_[Mg2Tc1Ag1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tc  1.9000  1.3500  0.7417
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8498]
_cell_length_b [4.8201]
_cell_length_c [5.0064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Mg2TcAg]
_chemical_formula_sum '[Mg2 Tc1 Ag1]'
_cell_volume [68.7703]
_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
[
  Mg  Mg0  1  0.0000  0.0000  0.0612  1
  Mg  Mg1  1  0.0000  0.5000  0.6795  1
  Tc  Tc2  1  0.5000  0.0000  0.5630  1
  Ag  Ag3  1  0.5000  0.5000  0.1963  1
]