data_Mg2ZrAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.35
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrAg
_chemical_formula_sum   'Mg2 Zr1 Ag1'
_cell_volume   82.56
_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  Mg1  1  0.0  0.0  0.31  1.0
  Mg  Mg2  1  0.5  0.17  0.55  1.0
  Zr  Zr3  1  0.0  0.0  0.24  1.0
  Ag  Ag0  1  0.5  0.17  0.78  1.0

data_Mg2ZrAg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.35
_cell_length_b   2.99
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mg2ZrAg
_chemical_formula_sum   'Mg2 Zr1 Ag1'
_cell_volume   82.56
_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
  Mg  Mg0  1  0.0  0.0  0.31  1.0
  Mg  Mg1  1  0.17  0.5  0.55  1.0
  Zr  Zr2  1  0.0  0.0  0.24  1.0
  Ag  Ag3  1  0.17  0.5  0.78  1.0

Mg Mg Zr Ag