data_BeIn2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2Ag
_chemical_formula_sum   'Be1 In2 Ag1'
_cell_volume   78.3
_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  0.0  1.0
  In  In2  1  0.53  0.06  0.56  1.0
  In  In3  1  0.53  0.94  0.56  1.0
  Ag  Ag0  1  0.05  0.0  0.0  1.0

data_BeIn2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   106.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2Ag
_chemical_formula_sum   'Be1 In2 Ag1'
_cell_volume   78.3
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.56  0.53  0.94  1.0
  In  In2  1  0.56  0.53  0.06  1.0
  Ag  Ag3  1  -0.0  0.05  0.0  1.0

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