data_[Ca4Cu2Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5353]
_cell_length_b [4.1024]
_cell_length_c [11.1795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ca2CuAg]
_chemical_formula_sum '[Ca4 Cu2 Ag2]'
_cell_volume [208.0010]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.1413  1.0
  Ca  Ca1  2  0.5000  0.0000  0.8582  1.0
  Cu  Cu2  2  0.5000  0.0000  0.5688  1.0
  Ag  Ag3  2  0.0000  0.0000  0.4317  1.0
]