data_[Ba3Ca3Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8118]
_cell_length_b [4.8118]
_cell_length_c [21.6942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaCaAg2]
_chemical_formula_sum '[Ba3 Ca3 Ag6]'
_cell_volume [435.0078]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  3  0.0000  0.0000  0.5293  1.0
  Ca  Ca1  3  0.0000  0.0000  0.7055  1.0
  Ag  Ag2  3  0.0000  0.0000  0.3007  1.0
  Ag  Ag3  3  0.0000  0.0000  0.9646  1.0
]