data_BeIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   116.56
_cell_angle_beta   116.56
_cell_angle_gamma   116.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn3
_chemical_formula_sum   'Be1 In3'
_cell_volume   93.89
_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  0.51  0.57  0.1  1.0
  In  In2  1  0.49  0.57  0.1  1.0
  In  In3  1  0.0  0.87  0.1  1.0

data_BeIn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   116.56
_cell_angle_beta   100.82
_cell_angle_gamma   100.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn3
_chemical_formula_sum   'Be1 In3'
_cell_volume   93.89
_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  0.1  0.1  0.23  1.0
  In  In2  1  0.1  0.61  0.53  1.0
  In  In3  1  0.1  0.58  0.53  1.0

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