data_[Ni2P4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.8786]
_cell_length_b [4.6019]
_cell_length_c [9.5015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [NiP2Os]
_chemical_formula_sum '[Ni2 P4 Os2]'
_cell_volume [125.8652]
_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
[
  Ni  Ni0  2  0.0000  0.0000  0.4995  1
  P  P1  2  0.0000  0.0000  0.0651  1
  P  P2  2  0.0000  0.5000  0.6762  1
  Os  Os3  2  0.0000  0.5000  0.2592  1
]