data_NaBe2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   43.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2In
_chemical_formula_sum   'Na1 Be2 In1'
_cell_volume   70.42
_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  0.0  0.54  1.0
  Be  Be0  1  1.0  0.0  0.96  1.0
  Be  Be1  1  0.0  0.0  0.81  1.0
  In  In2  1  1.0  0.0  0.42  1.0

data_NaBe2In
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.76
_cell_length_b   4.0
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   111.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaBe2In
_chemical_formula_sum   'Na1 Be2 In1'
_cell_volume   70.42
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.46  0.0  0.46  1.0
  Be  Be1  1  0.04  0.0  0.04  1.0
  Be  Be2  1  0.19  0.0  0.19  1.0
  In  In3  1  0.58  0.0  0.58  1.0

Na Be Be In