data_MnAsOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43
_cell_length_b   8.43
_cell_length_c   8.43
_cell_angle_alpha   19.03
_cell_angle_beta   19.03
_cell_angle_gamma   19.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAsOs2
_chemical_formula_sum   'Mn1 As1 Os2'
_cell_volume   55.65
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.41  1.0
  Os  Os2  1  0.0  0.0  0.55  1.0
  Os  Os3  1  0.0  0.0  0.27  1.0

data_MnAsOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   2.79
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   101.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAsOs2
_chemical_formula_sum   'Mn2 As2 Os4'
_cell_volume   111.3
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  As  As1  2  0.0  0.0  0.59  1.0
  Os  Os2  2  0.0  0.0  0.45  1.0
  Os  Os3  2  0.0  0.0  0.73  1.0

Mn As Os Os