data_[Cr2Ga2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3964]
_cell_length_b [3.7690]
_cell_length_c [10.7008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrGaSe3]
_chemical_formula_sum '[Cr2 Ga2 Se6]'
_cell_volume [255.9088]
_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  0.0262  0.7500  0.1568  1.0
  Ga  Ga1  2  0.4886  0.2500  0.2478  1.0
  Se  Se2  2  0.1373  0.7500  0.7282  1.0
  Se  Se3  2  0.2192  0.2500  0.0535  1.0
  Se  Se4  2  0.3240  0.7500  0.3432  1.0
]