data_MgMn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   131.58
_cell_angle_beta   131.58
_cell_angle_gamma   70.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Os
_chemical_formula_sum   'Mg1 Mn2 Os1'
_cell_volume   57.35
_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
  Mn  Mn1  1  0.93  0.0  0.92  1.0
  Mn  Mn2  1  0.0  0.0  0.84  1.0
  Os  Os3  1  0.0  0.93  0.92  1.0

data_MgMn2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   4.71
_cell_angle_alpha   114.21
_cell_angle_beta   114.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Os
_chemical_formula_sum   'Mg1 Mn2 Os1'
_cell_volume   57.35
_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
  Mn  Mn1  1  0.84  0.84  0.84  1.0
  Mn  Mn2  1  0.92  0.99  0.99  1.0
  Os  Os3  1  0.99  0.92  0.99  1.0

Mg Mn Mn Os
Mg Mn Mn Os 0 1 - o - 0 3 o - - 0 2 o o - 1 2 + o o 2 3 o - o 