data_[Ca4La2Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9124]
_cell_length_b [4.8996]
_cell_length_c [11.1124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2190]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2LaAg2]
_chemical_formula_sum '[Ca4 La2 Ag4]'
_cell_volume [318.6031]
_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  0.1088  0.2500  0.8780  1.0
  Ca  Ca1  2  0.2414  0.2500  0.5394  1.0
  La  La2  2  0.4081  0.2500  0.2141  1.0
  Ag  Ag3  2  0.2372  0.7500  0.3619  1.0
  Ag  Ag4  2  0.3706  0.7500  0.0267  1.0
]