data_[Mg4Zr6Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.2150]
_cell_length_b [29.4286]
_cell_length_c [3.2029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg2Zr3Ag2]
_chemical_formula_sum '[Mg4 Zr6 Ag4]'
_cell_volume [303.0390]
_cell_formula_units_Z [2]
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  4  0.0000  0.2962  0.5000  1
  Zr  Zr1  4  0.0000  0.4254  0.5000  1
  Zr  Zr2  2  0.0000  0.0000  0.0000  1
  Ag  Ag3  4  0.0000  0.1445  0.0000  1
]