data_Zr2MnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   4.99
_cell_angle_alpha   108.86
_cell_angle_beta   108.86
_cell_angle_gamma   33.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnAg
_chemical_formula_sum   'Zr2 Mn1 Ag1'
_cell_volume   77.48
_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  Zr2  1  0.16  0.0  0.2  1.0
  Zr  Zr3  1  0.34  0.0  0.39  1.0
  Mn  Mn1  1  0.55  0.0  0.07  1.0
  Ag  Ag0  1  0.18  0.0  0.38  1.0

data_Zr2MnAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.99
_cell_length_c   5.48
_cell_angle_alpha   108.86
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnAg
_chemical_formula_sum   'Zr2 Mn1 Ag1'
_cell_volume   77.48
_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  Zr0  1  0.0  0.2  0.16  1.0
  Zr  Zr1  1  0.0  0.39  0.34  1.0
  Mn  Mn2  1  0.0  0.07  0.55  1.0
  Ag  Ag3  1  0.0  0.38  0.18  1.0

Zr Zr Mn Ag
Zr Zr Mn Ag 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 