data_MnAsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   142.6
_cell_angle_beta   128.98
_cell_angle_gamma   64.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAsOs
_chemical_formula_sum   'Mn1 As1 Os1'
_cell_volume   40.8
_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  0.42  1.0
  As  As0  1  0.0  0.0  0.02  1.0
  Os  Os2  1  0.0  0.0  0.06  1.0

data_MnAsOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.83
_cell_length_c   4.44
_cell_angle_alpha   115.51
_cell_angle_beta   108.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAsOs
_chemical_formula_sum   'Mn1 As1 Os1'
_cell_volume   40.8
_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  Mn0  1  0.58  0.58  0.58  1.0
  As  As1  1  0.98  0.98  0.98  1.0
  Os  Os2  1  0.94  0.94  0.94  1.0

Mn As Os
Mn As Os 0 2 o o o 0 1 o o o 1 2 o o o 