data_[Zn2Ga2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2615]
_cell_length_b [5.3415]
_cell_length_c [6.3225]
_cell_angle_alpha [101.1519]
_cell_angle_beta [95.7464]
_cell_angle_gamma [99.0920]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnGaSe]
_chemical_formula_sum '[Zn2 Ga2 Se2]'
_cell_volume [138.1537]
_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
[
  Zn  Zn0  1  0.2559  0.8402  0.6618  1
  Zn  Zn1  1  0.8361  0.4447  0.0246  1
  Ga  Ga2  1  0.5724  0.1204  0.4103  1
  Ga  Ga3  1  0.9736  0.8622  0.2795  1
  Se  Se4  1  0.2742  0.1635  0.0207  1
  Se  Se5  1  0.7006  0.5645  0.6577  1
]