data_[Ca3Ag3Sn3]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.8609]
_cell_length_b [4.8609]
_cell_length_c [11.0447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CaAgSn]
_chemical_formula_sum '[Ca3 Ag3 Sn3]'
_cell_volume [226.0087]
_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
[
  Ca  Ca0  1  0.0000  0.0000  0.1721  1.0
  Ca  Ca1  1  0.0000  0.0000  0.5044  1.0
  Ca  Ca2  1  0.0000  0.0000  0.8368  1.0
  Ag  Ag3  1  0.3333  0.6667  0.3168  1.0
  Ag  Ag4  1  0.3333  0.6667  0.6950  1.0
  Ag  Ag5  1  0.6667  0.3333  0.0117  1.0
  Sn  Sn6  1  0.3333  0.6667  0.0016  1.0
  Sn  Sn7  1  0.6667  0.3333  0.3556  1.0
  Sn  Sn8  1  0.6667  0.3333  0.6500  1.0
]