data_ZrCoAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCoAg2
_chemical_formula_sum   'Zr1 Co1 Ag2'
_cell_volume   69.23
_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
  Zr  Zr3  1  0.0  0.0  0.1  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.04  0.0  0.4  1.0
  Ag  Ag1  1  0.04  0.0  0.8  1.0

data_ZrCoAg2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrCoAg2
_chemical_formula_sum   'Zr1 Co1 Ag2'
_cell_volume   69.24
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Zr  Zr0  1  0.0  0.0  0.1  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.04  0.0  0.4  1.0
  Ag  Ag3  1  0.04  0.0  0.8  1.0

Zr Co Ag Ag
Zr Co Ag Ag 0 1 o o o 0 2 o o o 1 3 o o - 2 2 o + o 2 2 + o o 