data_ZrBeAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBeAg2
_chemical_formula_sum   'Zr1 Be1 Ag2'
_cell_volume   65.16
_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  0.77  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.06  0.0  0.07  1.0
  Ag  Ag1  1  0.06  0.0  0.47  1.0

data_ZrBeAg2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrBeAg2
_chemical_formula_sum   'Zr1 Be1 Ag2'
_cell_volume   65.18
_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  0.77  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.06  0.0  0.07  1.0
  Ag  Ag3  1  0.06  0.0  0.47  1.0

Zr Be Ag Ag
Zr Be Ag Ag 0 1 o o + 0 3 o o o 1 2 o o o 2 3 o o o 3 3 o + o 3 3 + o o 