data_MgZrAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.27
_cell_angle_alpha   99.59
_cell_angle_beta   99.59
_cell_angle_gamma   33.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrAg2
_chemical_formula_sum   'Mg1 Zr1 Ag2'
_cell_volume   78.42
_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
  Mg  Mg2  1  0.63  0.0  0.84  1.0
  Zr  Zr3  1  0.29  0.0  0.1  1.0
  Ag  Ag0  1  0.99  0.0  0.12  1.0
  Ag  Ag1  1  0.91  0.0  0.73  1.0

data_MgZrAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.26
_cell_length_c   5.27
_cell_angle_alpha   99.59
_cell_angle_beta   90.0
_cell_angle_gamma   106.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrAg2
_chemical_formula_sum   'Mg1 Zr1 Ag2'
_cell_volume   78.42
_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
  Mg  Mg0  1  0.0  0.37  0.16  1.0
  Zr  Zr1  1  0.0  0.71  0.9  1.0
  Ag  Ag2  1  0.0  0.01  0.88  1.0
  Ag  Ag3  1  0.0  0.09  0.27  1.0

Mg Zr Ag Ag
Mg Zr Ag Ag 0 3 o o o 1 2 - o o 2 3 o o - 