data_[Zr2Os2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6255]
_cell_length_b [3.2926]
_cell_length_c [5.9586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrOsSe2]
_chemical_formula_sum '[Zr2 Os2 Se4]'
_cell_volume [146.3875]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.5000  1
  Os  Os1  2  0.0000  0.5000  0.0000  1
  Se  Se2  4  0.2473  0.0000  0.2215  1
]