data_[Li3Ca4Ag1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.3228]
_cell_length_b [4.6074]
_cell_length_c [12.0920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Li3Ca4Ag]
_chemical_formula_sum '[Li3 Ca4 Ag1]'
_cell_volume [240.8334]
_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
[
  Li  Li0  1  0.0000  0.0000  0.4292  1
  Li  Li1  1  0.0000  0.5000  0.5674  1
  Li  Li2  1  0.5000  0.0000  0.9402  1
  Ca  Ca3  1  0.0000  0.0000  0.1410  1
  Ca  Ca4  1  0.0000  0.5000  0.8634  1
  Ca  Ca5  1  0.5000  0.0000  0.6542  1
  Ca  Ca6  1  0.5000  0.5000  0.3378  1
  Ag  Ag7  1  0.5000  0.5000  0.0667  1
]