data_ScBe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   3.3
_cell_angle_alpha   106.71
_cell_angle_beta   106.71
_cell_angle_gamma   128.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe2Cl
_chemical_formula_sum   'Sc1 Be2 Cl1'
_cell_volume   62.37
_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  Sc3  1  0.47  0.0  0.0  1.0
  Be  Be0  1  0.15  0.46  0.24  1.0
  Be  Be1  1  0.15  0.54  0.24  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_ScBe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.73
_cell_length_c   5.64
_cell_angle_alpha   109.02
_cell_angle_beta   106.71
_cell_angle_gamma   90.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe2Cl
_chemical_formula_sum   'Sc1 Be2 Cl1'
_cell_volume   62.37
_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  0.0  0.47  1.0
  Be  Be1  1  0.71  0.46  0.62  1.0
  Be  Be2  1  0.78  0.54  0.69  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sc Be Be Cl