data_MgNi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.49
_cell_angle_alpha   104.94
_cell_angle_beta   104.94
_cell_angle_gamma   32.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi2Os
_chemical_formula_sum   'Mg1 Ni2 Os1'
_cell_volume   52.03
_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  0.48  0.0  0.88  1.0
  Ni  Ni1  1  0.9  0.0  0.14  1.0
  Ni  Ni2  1  0.5  0.0  0.06  1.0
  Os  Os3  1  0.01  0.0  0.41  1.0

data_MgNi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.49
_cell_length_c   4.73
_cell_angle_alpha   104.94
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi2Os
_chemical_formula_sum   'Mg1 Ni2 Os1'
_cell_volume   52.03
_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  0.88  0.48  1.0
  Ni  Ni1  1  0.0  0.06  0.5  1.0
  Ni  Ni2  1  0.0  0.14  0.9  1.0
  Os  Os3  1  0.0  0.41  0.01  1.0

Mg Ni Ni Os