data_ZrBe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   6.43
_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   54.36
_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  0.94  1.0
  Be  Be0  1  0.45  0.45  0.38  1.0
  Be  Be1  1  0.0  0.0  0.52  1.0
  Pt  Pt2  1  0.45  0.45  0.8  1.0

data_ZrBe2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrBe2Pt
_chemical_formula_sum   'Zr2 Be4 Pt2'
_cell_volume   108.73
_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
  Zr  Zr0  2  0.0  0.0  0.94  1.0
  Be  Be1  2  0.0  0.0  0.52  1.0
  Be  Be2  2  0.45  0.0  0.38  1.0
  Pt  Pt3  2  0.45  0.0  0.8  1.0

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