data_Mg2AgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   120.78
_cell_angle_beta   119.98
_cell_angle_gamma   89.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AgB
_chemical_formula_sum   'Mg2 Ag1 B1'
_cell_volume   62.55
_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  0.0  0.23  0.6  1.0
  Mg  Mg3  1  0.21  0.0  0.57  1.0
  Ag  Ag0  1  0.0  0.0  0.17  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_Mg2AgB
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   60.02
_cell_angle_beta   60.39
_cell_angle_gamma   60.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AgB
_chemical_formula_sum   'Mg2 Ag1 B1'
_cell_volume   62.55
_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  0.37  0.21  0.43  1.0
  Mg  Mg1  1  0.6  -0.0  0.63  1.0
  Ag  Ag2  1  0.17  0.0  0.83  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Mg Mg Ag B