data_ScBe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   126.05
_cell_angle_beta   126.05
_cell_angle_gamma   79.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe2Pt
_chemical_formula_sum   'Sc1 Be2 Pt1'
_cell_volume   55.2
_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  0.0  0.0  0.4  1.0
  Be  Be0  1  0.0  0.01  0.7  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.01  0.0  0.7  1.0

data_ScBe2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   129.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScBe2Pt
_chemical_formula_sum   'Sc2 Be4 Pt2'
_cell_volume   110.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.4  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Be  Be2  2  0.49  0.5  0.69  1.0
  Pt  Pt3  2  0.49  0.5  0.69  1.0

Sc Be Be Pt