data_BeAgSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.34
_cell_angle_alpha   105.44
_cell_angle_beta   105.44
_cell_angle_gamma   43.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgSn2
_chemical_formula_sum   'Be1 Ag1 Sn2'
_cell_volume   85.84
_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  0.85  0.0  0.07  1.0
  Ag  Ag0  1  0.42  0.0  0.53  1.0
  Sn  Sn2  1  0.43  0.0  0.71  1.0
  Sn  Sn3  1  0.82  0.0  0.88  1.0

data_BeAgSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.54
_cell_length_c   6.34
_cell_angle_alpha   105.44
_cell_angle_beta   90.0
_cell_angle_gamma   111.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgSn2
_chemical_formula_sum   'Be1 Ag1 Sn2'
_cell_volume   85.84
_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  0.15  0.93  1.0
  Ag  Ag1  1  0.0  0.58  0.47  1.0
  Sn  Sn2  1  0.0  0.18  0.12  1.0
  Sn  Sn3  1  0.0  0.57  0.29  1.0

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