data_[Li1Ca4Ag3]
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 [4.1590]
_cell_length_b [4.6909]
_cell_length_c [11.5561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [LiCa4Ag3]
_chemical_formula_sum '[Li1 Ca4 Ag3]'
_cell_volume [225.4546]
_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  0.5000  0.5000  0.0627  1.0
  Ca  Ca1  1  0.0000  0.0000  0.1471  1.0
  Ca  Ca2  1  0.0000  0.5000  0.8482  1.0
  Ca  Ca3  1  0.5000  0.0000  0.6412  1.0
  Ca  Ca4  1  0.5000  0.5000  0.3658  1.0
  Ag  Ag5  1  0.0000  0.0000  0.4256  1.0
  Ag  Ag6  1  0.0000  0.5000  0.5768  1.0
  Ag  Ag7  1  0.5000  0.0000  0.9326  1.0
]