data_[Ca2Ag4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0872]
_cell_length_b [2.8381]
_cell_length_c [5.3192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7120]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaAg2W]
_chemical_formula_sum '[Ca2 Ag4 W2]'
_cell_volume [154.3944]
_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  0.0035  0.5000  0.5788  1
  Ag  Ag1  2  0.2621  0.0000  0.6822  1
  Ag  Ag2  2  0.4959  0.5000  0.0822  1
  W  W3  2  0.2385  0.5000  0.1569  1
]