data_Mg2AgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.08
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AgRh
_chemical_formula_sum   'Mg2 Ag1 Rh1'
_cell_volume   68.93
_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  0.5  1.0
  Mg  Mg2  1  0.5  0.04  0.62  1.0
  Ag  Ag0  1  0.5  0.04  0.26  1.0
  Rh  Rh3  1  0.0  0.0  0.65  1.0

data_Mg2AgRh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.08
_cell_length_b   3.01
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mg2AgRh
_chemical_formula_sum   'Mg2 Ag1 Rh1'
_cell_volume   68.93
_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  0.5  0.5  1.0
  Mg  Mg1  1  0.04  0.0  0.62  1.0
  Ag  Ag2  1  0.04  0.0  0.26  1.0
  Rh  Rh3  1  0.0  0.5  0.65  1.0

Mg Mg Ag Rh
Mg Mg Ag Rh 0 3 o o o 0 1 o o o 0 1 - o o 0 2 o o o 0 2 - o o 1 3 o o o 1 3 + o o 1 2 o o o 