data_NaBeIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   131.92
_cell_angle_beta   131.92
_cell_angle_gamma   70.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeIn2
_chemical_formula_sum   'Na1 Be1 In2'
_cell_volume   86.09
_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
  Na  Na3  1  0.0  0.21  0.21  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.21  0.0  0.21  1.0
  In  In2  1  0.0  0.0  0.43  1.0

data_NaBeIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   5.41
_cell_angle_alpha   114.04
_cell_angle_beta   114.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeIn2
_chemical_formula_sum   'Na1 Be1 In2'
_cell_volume   86.09
_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
  Na  Na0  1  0.01  0.21  0.01  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.21  0.01  0.01  1.0
  In  In3  1  0.43  0.43  0.43  1.0

Na Be In In
Na Be In In 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 