data_MgAgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.3
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAgSb2
_chemical_formula_sum   'Mg1 Ag1 Sb2'
_cell_volume   95.49
_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  0.0  1.0
  Ag  Ag0  1  0.14  0.0  0.6  1.0
  Sb  Sb2  1  0.0  0.15  0.6  1.0
  Sb  Sb3  1  0.14  0.15  0.0  1.0

data_MgAgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.3
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAgSb2
_chemical_formula_sum   'Mg1 Ag1 Sb2'
_cell_volume   95.49
_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  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.14  0.0  0.6  1.0
  Sb  Sb2  1  0.0  0.15  0.6  1.0
  Sb  Sb3  1  0.14  0.15  0.0  1.0

Mg Ag Sb Sb
Mg Ag Sb Sb 0 3 o o o 1 2 o o o 