data_BaZrAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   7.16
_cell_angle_alpha   150.1
_cell_angle_beta   150.1
_cell_angle_gamma   42.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZrAg
_chemical_formula_sum   'Ba1 Zr1 Ag1'
_cell_volume   90.94
_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
  Ba  Ba1  1  0.0  0.0  0.78  1.0
  Zr  Zr2  1  0.0  0.0  0.99  1.0
  Ag  Ag0  1  0.0  0.0  0.9  1.0

data_BaZrAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   111.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaZrAg
_chemical_formula_sum   'Ba2 Zr2 Ag2'
_cell_volume   181.87
_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
  Ba  Ba0  2  0.28  0.5  0.78  1.0
  Zr  Zr1  2  0.49  0.5  0.99  1.0
  Ag  Ag2  2  0.4  0.5  0.9  1.0

Ba Zr Ag