data_[Mn1Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7152]
_cell_length_b [4.2554]
_cell_length_c [4.6943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [MnOs3]
_chemical_formula_sum '[Mn1 Os3]'
_cell_volume [54.2382]
_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  0.0000  0.0000  0.9978  1.0
  Os  Os1  1  0.0000  0.5000  0.3234  1.0
  Os  Os2  1  0.5000  0.0000  0.5036  1.0
  Os  Os3  1  0.5000  0.5000  0.8419  1.0
]