data_[Cr2Si2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7658]
_cell_length_b [18.2954]
_cell_length_c [7.3368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CrSiSe3]
_chemical_formula_sum '[Cr2 Si2 Se6]'
_cell_volume [828.5239]
_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
[
  Cr  Cr0  2  0.1865  0.5000  0.0037  1
  Si  Si1  2  0.1493  0.5000  0.4589  1
  Se  Se2  4  0.1025  0.4099  0.2251  1
  Se  Se3  2  0.4039  0.5000  0.7830  1
]