data_CaZnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   4.13
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnSi2
_chemical_formula_sum   'Ca1 Zn1 Si2'
_cell_volume   79.11
_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  0.59  0.0  0.01  1.0
  Si  Si1  1  0.59  0.07  0.7  1.0
  Si  Si2  1  0.59  0.07  0.32  1.0

data_CaZnSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.13
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnSi2
_chemical_formula_sum   'Ca1 Zn1 Si2'
_cell_volume   79.11
_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  0.59  0.0  0.01  1.0
  Si  Si2  1  0.59  0.07  0.32  1.0
  Si  Si3  1  0.59  0.07  0.7  1.0

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