data_MgBePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBePt2
_chemical_formula_sum   'Mg1 Be1 Pt2'
_cell_volume   58.38
_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
  Mg  Mg1  1  0.53  0.53  0.67  1.0
  Be  Be0  1  0.0  0.0  0.76  1.0
  Pt  Pt2  1  0.0  0.0  0.24  1.0
  Pt  Pt3  1  0.53  0.53  0.97  1.0

data_MgBePt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgBePt2
_chemical_formula_sum   'Mg2 Be2 Pt4'
_cell_volume   116.77
_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
  Mg  Mg0  2  0.03  0.5  0.67  1.0
  Be  Be1  2  0.0  0.0  0.76  1.0
  Pt  Pt2  2  0.0  0.0  0.24  1.0
  Pt  Pt3  2  0.03  0.5  0.97  1.0

Mg Be Pt Pt
MgBePt2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 1-coordinate geometry to four equivalent Be(1), one Pt(2), and four equivalent Pt(1) atoms. There are a spread of Mg(1)-Be(1) bond distances ranging from 2.12-2.34 Å. The Mg(1)-Pt(2) bond length is 1.90 Å. There are a spread of Mg(1)-Pt(1) bond distances ranging from 3.40-3.55 Å. Be(1) is bonded in a 8-coordinate geometry to four equivalent Mg(1), one Pt(1), and four equivalent Pt(2) atoms. The Be(1)-Pt(1) bond length is 2.98 Å. There are a spread of Be(1)-Pt(2) bond distances ranging from 2.44-2.64 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 13-coordinate geometry to four equivalent Mg(1), one Be(1), four equivalent Pt(1), and four equivalent Pt(2) atoms. All Pt(1)-Pt(1) bond lengths are 3.05 Å. There are a spread of Pt(1)-Pt(2) bond distances ranging from 2.62-2.81 Å. In the second Pt site, Pt(2) is bonded in a distorted single-bond geometry to one Mg(1), four equivalent Be(1), and four equivalent Pt(1) atoms.