data_CaZnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnSb2
_chemical_formula_sum   'Ca1 Zn1 Sb2'
_cell_volume   100.82
_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  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.28  1.0
  Sb  Sb1  1  0.67  0.0  0.82  1.0
  Sb  Sb2  1  0.67  0.0  0.74  1.0

data_CaZnSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnSb2
_chemical_formula_sum   'Ca1 Zn1 Sb2'
_cell_volume   100.82
_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  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.0  0.28  1.0
  Sb  Sb2  1  0.67  0.0  0.74  1.0
  Sb  Sb3  1  0.67  0.0  0.82  1.0

Ca Zn Sb Sb
Ca Zn Sb Sb 0 3 - o - 0 2 - o - 0 1 o o o 2 3 o o o 