data_[Zr2In2Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8779]
_cell_length_b [2.9847]
_cell_length_c [5.5859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrInAg2]
_chemical_formula_sum '[Zr2 In2 Ag4]'
_cell_volume [163.5554]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.5000  1.0
  In  In1  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag2  4  0.2497  0.5000  0.7422  1.0
]