data_BePt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   149.63
_cell_angle_beta   132.56
_cell_angle_gamma   57.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePt3
_chemical_formula_sum   'Be1 Pt3'
_cell_volume   55.8
_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
  Pt  Pt1  1  0.0  0.14  0.82  1.0
  Pt  Pt2  1  0.0  0.0  0.67  1.0
  Pt  Pt3  1  0.39  0.0  0.85  1.0

data_BePt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.28
_cell_length_c   5.32
_cell_angle_alpha   113.72
_cell_angle_beta   105.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePt3
_chemical_formula_sum   'Be1 Pt3'
_cell_volume   55.8
_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
  Pt  Pt1  1  0.0  0.67  0.67  1.0
  Pt  Pt2  1  0.0  0.85  0.45  1.0
  Pt  Pt3  1  0.86  0.68  0.68  1.0

Be Pt Pt Pt
Be Pt Pt Pt 0 1 o o - 0 2 o o - 1 2 o o o 1 3 o o o 2 3 o o o 