data_YBePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   140.0
_cell_angle_beta   131.17
_cell_angle_gamma   64.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBePt2
_chemical_formula_sum   'Y1 Be1 Pt2'
_cell_volume   67.98
_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
  Y  Y3  1  0.0  0.16  0.07  1.0
  Be  Be0  1  0.0  0.0  0.93  1.0
  Pt  Pt1  1  0.0  0.16  0.12  1.0
  Pt  Pt2  1  0.0  0.0  0.1  1.0

data_YBePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.32
_cell_length_c   5.22
_cell_angle_alpha   114.41
_cell_angle_beta   110.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBePt2
_chemical_formula_sum   'Y1 Be1 Pt2'
_cell_volume   67.98
_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
  Y  Y0  1  0.93  0.09  0.09  1.0
  Be  Be1  1  0.07  0.07  0.07  1.0
  Pt  Pt2  1  0.88  0.03  0.03  1.0
  Pt  Pt3  1  0.9  0.9  0.9  1.0

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