data_Sc2BeIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   4.76
_cell_angle_alpha   113.23
_cell_angle_beta   113.23
_cell_angle_gamma   34.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeIn
_chemical_formula_sum   'Sc2 Be1 In1'
_cell_volume   79.08
_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
  Sc  Sc2  1  0.07  0.0  0.33  1.0
  Sc  Sc3  1  0.04  0.0  0.12  1.0
  Be  Be0  1  0.28  0.0  0.18  1.0
  In  In1  1  0.04  0.0  0.21  1.0

data_Sc2BeIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.76
_cell_length_c   5.7
_cell_angle_alpha   113.23
_cell_angle_beta   107.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeIn
_chemical_formula_sum   'Sc2 Be1 In1'
_cell_volume   79.08
_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
  Sc  Sc0  1  0.0  0.12  0.04  1.0
  Sc  Sc1  1  0.0  0.33  0.07  1.0
  Be  Be2  1  0.0  0.18  0.28  1.0
  In  In3  1  0.0  0.21  0.04  1.0

Sc Sc Be In