data_ZrBe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   3.17
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2Pt
_chemical_formula_sum   'Zr1 Be2 Pt1'
_cell_volume   54.84
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.39  0.58  0.91  1.0
  Be  Be1  1  0.39  0.58  0.32  1.0
  Pt  Pt2  1  0.0  0.0  0.12  1.0

data_ZrBe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.17
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2Pt
_chemical_formula_sum   'Zr1 Be2 Pt1'
_cell_volume   54.84
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.39  0.58  0.32  1.0
  Be  Be2  1  0.39  0.58  0.91  1.0
  Pt  Pt3  1  0.0  0.0  0.12  1.0

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