data_BeB2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   4.1
_cell_angle_alpha   132.9
_cell_angle_beta   132.9
_cell_angle_gamma   68.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeB2Pt
_chemical_formula_sum   'Be1 B2 Pt1'
_cell_volume   36.25
_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  Be2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.38  1.0
  B  B1  1  0.0  0.64  0.69  1.0
  Pt  Pt3  1  0.64  0.0  0.69  1.0

data_BeB2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   4.1
_cell_angle_alpha   113.55
_cell_angle_beta   113.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeB2Pt
_chemical_formula_sum   'Be1 B2 Pt1'
_cell_volume   36.25
_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
  B  B1  1  0.05  0.69  0.05  1.0
  B  B2  1  0.38  0.38  0.38  1.0
  Pt  Pt3  1  0.69  0.05  0.05  1.0

Be B B Pt