data_Be2GaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   143.19
_cell_angle_beta   130.85
_cell_angle_gamma   62.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2GaAg
_chemical_formula_sum   'Be2 Ga1 Ag1'
_cell_volume   51.55
_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
  Be  Be1  1  0.0  0.0  0.16  1.0
  Be  Be2  1  0.0  0.02  0.23  1.0
  Ga  Ga3  1  0.0  0.0  0.24  1.0
  Ag  Ag0  1  0.54  0.0  0.97  1.0

data_Be2GaAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.05
_cell_length_c   4.86
_cell_angle_alpha   114.57
_cell_angle_beta   108.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2GaAg
_chemical_formula_sum   'Be2 Ga1 Ag1'
_cell_volume   51.55
_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
  Be  Be0  1  0.77  0.79  0.79  1.0
  Be  Be1  1  0.84  0.84  0.84  1.0
  Ga  Ga2  1  0.76  0.76  0.76  1.0
  Ag  Ag3  1  0.57  0.03  0.57  1.0

Be Be Ga Ag
Be Be Ga Ag 0 1 o o o 0 3 - o - 1 2 o o o 1 3 - o - 2 3 - o - 