data_[Ca3Ag1Sn3Bi2]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.2253]
_cell_length_b [8.2253]
_cell_length_c [4.4937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ca3AgSn3Bi2]
_chemical_formula_sum '[Ca3 Ag1 Sn3 Bi2]'
_cell_volume [263.2936]
_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
[
  Ca  Ca0  3  0.0000  0.3917  0.0000  1.0
  Ag  Ag1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  3  0.0000  0.7668  0.5000  1.0
  Bi  Bi3  2  0.3333  0.6667  0.5000  1.0
]