data_[Ca4Zn3Ag1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1272]
_cell_length_b [4.5273]
_cell_length_c [11.4211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ca4Zn3Ag]
_chemical_formula_sum '[Ca4 Zn3 Ag1]'
_cell_volume [213.4063]
_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
[
  Ca  Ca0  1  0.0000  0.0000  0.1458  1
  Ca  Ca1  1  0.0000  0.5000  0.8541  1
  Ca  Ca2  1  0.5000  0.0000  0.6455  1
  Ca  Ca3  1  0.5000  0.5000  0.3554  1
  Zn  Zn4  1  0.0000  0.0000  0.4352  1
  Zn  Zn5  1  0.0000  0.5000  0.5652  1
  Zn  Zn6  1  0.5000  0.0000  0.9313  1
  Ag  Ag7  1  0.5000  0.5000  0.0675  1
]