data_MgZrAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.8
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   100.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrAg2
_chemical_formula_sum   'Mg1 Zr1 Ag2'
_cell_volume   78.38
_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  0.07  0.0  0.45  1.0
  Zr  Zr3  1  0.96  0.4  0.41  1.0
  Ag  Ag0  1  0.47  0.0  0.41  1.0
  Ag  Ag1  1  0.38  0.4  0.56  1.0

data_MgZrAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.8
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   100.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrAg2
_chemical_formula_sum   'Mg1 Zr1 Ag2'
_cell_volume   78.38
_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  0.07  0.0  0.45  1.0
  Zr  Zr1  1  0.96  0.4  0.41  1.0
  Ag  Ag2  1  0.38  0.4  0.56  1.0
  Ag  Ag3  1  0.47  0.0  0.41  1.0

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