data_Mg4Pt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   95.69
_cell_angle_beta   95.69
_cell_angle_gamma   143.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Pt5
_chemical_formula_sum   'Mg4 Pt5'
_cell_volume   150.05
_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  Mg0  1  0.0  0.6  0.0  1.0
  Mg  Mg1  1  0.0  0.01  0.0  1.0
  Mg  Mg2  1  0.6  0.0  0.0  1.0
  Mg  Mg3  1  0.01  0.0  0.0  1.0
  Pt  Pt4  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.86  0.86  0.0  1.0
  Pt  Pt6  1  0.55  0.45  0.02  1.0
  Pt  Pt7  1  0.45  0.55  0.02  1.0
  Pt  Pt8  1  0.45  0.45  0.02  1.0

data_Mg4Pt5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   12.18
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   108.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg4Pt5
_chemical_formula_sum   'Mg8 Pt10'
_cell_volume   300.11
_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  4  0.2  0.2  -0.0  1.0
  Mg  Mg1  4  0.49  0.49  -0.0  1.0
  Pt  Pt2  4  -0.0  0.45  0.98  1.0
  Pt  Pt3  2  0.0  0.0  0.0  1.0
  Pt  Pt4  2  0.05  0.5  0.98  1.0
  Pt  Pt5  2  0.14  0.0  -0.0  1.0

Mg Mg Mg Mg Pt Pt Pt Pt Pt