data_Be2InSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   145.33
_cell_angle_beta   145.33
_cell_angle_gamma   49.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2InSe
_chemical_formula_sum   'Be2 In1 Se1'
_cell_volume   68.63
_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  0.78  0.71  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.78  0.0  0.71  1.0
  Se  Se3  1  0.0  0.0  0.42  1.0

data_Be2InSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   5.97
_cell_angle_alpha   107.34
_cell_angle_beta   107.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2InSe
_chemical_formula_sum   'Be2 In1 Se1'
_cell_volume   68.63
_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
  Be  Be1  1  0.07  0.78  0.07  1.0
  In  In2  1  0.29  0.0  0.07  1.0
  Se  Se3  1  0.58  0.0  0.58  1.0

Be Be In Se