data_[Y1P1Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9697]
_cell_length_b [4.2017]
_cell_length_c [5.6840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3394]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YPOs2]
_chemical_formula_sum '[Y1 P1 Os2]'
_cell_volume [69.0108]
_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
[
  Y  Y0  1  0.2574  0.5000  0.7314  1
  P  P1  1  0.6312  0.0000  0.4450  1
  Os  Os2  1  0.0069  0.0000  0.0834  1
  Os  Os3  1  0.6044  0.5000  0.2402  1
]