data_[Mn1P1Os1Ru1Se1S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3619]
_cell_length_b [3.4009]
_cell_length_c [5.6649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnPOsRuSeS]
_chemical_formula_sum '[Mn1 P1 Os1 Ru1 Se1 S1]'
_cell_volume [94.5204]
_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  0.8578  0.0000  0.3922  1
  P  P1  1  0.4059  0.0000  0.1889  1
  Os  Os2  1  0.0819  0.5000  0.1417  1
  Ru  Ru3  1  0.5196  0.5000  0.9713  1
  Se  Se4  1  0.7951  0.0000  0.7985  1
  S  S5  1  0.1473  0.5000  0.5675  1
]