data_[Sr2Ga2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0444]
_cell_length_b [12.4182]
_cell_length_c [5.8776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrGaCuSe3]
_chemical_formula_sum '[Sr2 Ga2 Cu2 Se6]'
_cell_volume [292.9389]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1
  Ga  Ga1  2  0.1429  0.7500  0.4079  1
  Cu  Cu2  2  0.3006  0.2500  0.9374  1
  Se  Se3  4  0.4198  0.1047  0.6607  1
  Se  Se4  2  0.1523  0.7500  0.8284  1
]