data_[Ca2Cr4Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9780]
_cell_length_b [10.0091]
_cell_length_c [3.0894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCr2Ag]
_chemical_formula_sum '[Ca2 Cr4 Ag2]'
_cell_volume [165.2508]
_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  0.5000  1
  Cr  Cr1  4  0.2500  0.2500  0.0000  1
  Ag  Ag2  2  0.0000  0.5000  0.5000  1
]