data_ZrTaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   156.05
_cell_angle_beta   156.05
_cell_angle_gamma   34.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaAg
_chemical_formula_sum   'Zr1 Ta1 Ag1'
_cell_volume   58.35
_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  0.0  0.0  0.07  1.0
  Ta  Ta1  1  0.0  0.0  0.53  1.0
  Ag  Ag0  1  0.0  0.0  0.47  1.0

data_ZrTaAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   107.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrTaAg
_chemical_formula_sum   'Zr2 Ta2 Ag2'
_cell_volume   116.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.07  0.0  0.07  1.0
  Ta  Ta1  2  0.03  0.5  0.53  1.0
  Ag  Ag2  2  0.47  0.0  0.47  1.0

Zr Ta Ag
Zr Ta Ag 0 0 + o + 0 0 o + + 0 2 o o o 0 1 o o o 1 2 o o o 