data_[Cr1Se1Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.5513]
_cell_length_b [19.3224]
_cell_length_c [7.0151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CrSeCl3]
_chemical_formula_sum '[Cr1 Se1 Cl3]'
_cell_volume [469.7143]
_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
[
  Cr  Cr0  1  0.9604  0.5000  0.0822  1
  Se  Se1  1  0.3185  0.5000  0.8392  1
  Cl  Cl2  2  0.0944  0.3881  0.9636  1
  Cl  Cl3  1  0.5620  0.5000  0.3207  1
]