data_Ca4ZnAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.67
_cell_length_c   11.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4ZnAg3
_chemical_formula_sum   'Ca4 Zn1 Ag3'
_cell_volume   217.14
_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  0.64  1.0
  Ca  Ca1  1  0.04  0.0  0.34  1.0
  Ca  Ca2  1  0.04  0.33  0.09  1.0
  Ca  Ca3  1  0.0  0.33  0.79  1.0
  Zn  Zn4  1  0.0  0.0  0.91  1.0
  Ag  Ag5  1  0.04  0.0  0.57  1.0
  Ag  Ag6  1  0.04  0.33  0.85  1.0
  Ag  Ag7  1  0.0  0.33  0.51  1.0

data_Ca4ZnAg3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.67
_cell_length_c   11.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4ZnAg3
_chemical_formula_sum   'Ca4 Zn1 Ag3'
_cell_volume   217.14
_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  0.64  1.0
  Ca  Ca1  1  0.0  0.33  0.79  1.0
  Ca  Ca2  1  0.04  0.0  0.34  1.0
  Ca  Ca3  1  0.04  0.33  0.09  1.0
  Zn  Zn4  1  0.0  0.0  0.91  1.0
  Ag  Ag5  1  0.0  0.33  0.51  1.0
  Ag  Ag6  1  0.04  0.0  0.57  1.0
  Ag  Ag7  1  0.04  0.33  0.85  1.0

Ca Ca Ca Ca Zn Ag Ag Ag
Ca Ca Ca Ca Zn Ag Ag Ag 0 5 o o o 1 7 o o o 1 5 o o o 2 4 o o - 2 6 o o - 3 6 o o o 4 6 o o o 5 7 o o o 