data_[As2P2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [2.9974]
_cell_length_b [5.3131]
_cell_length_c [6.0933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AsPOs]
_chemical_formula_sum '[As2 P2 Os2]'
_cell_volume [97.0381]
_cell_formula_units_Z [2]
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
[
  As  As0  2  0.0000  0.4110  0.3706  1.0
  P  P1  2  0.0000  0.0761  0.6335  1.0
  Os  Os2  2  0.0000  0.2319  0.9940  1.0
]