data_MgOs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.61
_cell_angle_alpha   99.85
_cell_angle_beta   99.85
_cell_angle_gamma   32.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgOs2Pd
_chemical_formula_sum   'Mg1 Os2 Pd1'
_cell_volume   60.31
_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  0.0  0.0  1.0
  Os  Os1  1  0.06  0.0  0.12  1.0
  Os  Os2  1  0.69  0.0  0.42  1.0
  Pd  Pd3  1  0.37  0.0  0.27  1.0

data_MgOs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.61
_cell_length_c   4.98
_cell_angle_alpha   99.85
_cell_angle_beta   106.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgOs2Pd
_chemical_formula_sum   'Mg1 Os2 Pd1'
_cell_volume   60.31
_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  0.0  0.0  1.0
  Os  Os1  1  0.0  0.12  0.06  1.0
  Pd  Pd2  1  0.0  0.27  0.37  1.0
  Os  Os3  1  0.0  0.42  0.69  1.0

Mg Os Os Pd
Mg Os Os Pd 0 1 o o o 1 3 o o o 2 3 o o o 