data_[Mn1Fe2Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.5615]
_cell_length_b [4.0713]
_cell_length_c [4.8743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnFe2Os]
_chemical_formula_sum '[Mn1 Fe2 Os1]'
_cell_volume [49.9042]
_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  0.5276  0.0000  0.5045  1
  Fe  Fe1  1  0.7481  0.5000  0.2426  1
  Fe  Fe2  1  0.9821  0.0000  0.0123  1
  Os  Os3  1  0.2421  0.5000  0.7406  1
]