data_[Ca3Zn2Ni2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3763]
_cell_length_b [4.3763]
_cell_length_c [16.1609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ca3Zn2(NiSb2)2]
_chemical_formula_sum '[Ca3 Zn2 Ni2 Sb4]'
_cell_volume [268.0422]
_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  2  0.0000  0.0000  0.2577  1.0
  Ca  Ca1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.3333  0.6667  0.4428  1.0
  Ni  Ni3  2  0.3333  0.6667  0.8686  1.0
  Sb  Sb4  2  0.3333  0.6667  0.1300  1.0
  Sb  Sb5  2  0.3333  0.6667  0.6154  1.0
]