data_[Sr2Ho2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ho  1.2300  1.7500  1.0410
  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 [8.5241]
_cell_length_b [4.0748]
_cell_length_c [9.0555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrHoCuSe3]
_chemical_formula_sum '[Sr2 Ho2 Cu2 Se6]'
_cell_volume [305.0584]
_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  0.1899  0.2500  0.2420  1.0
  Ho  Ho1  2  0.3250  0.7500  0.8338  1.0
  Cu  Cu2  2  0.0791  0.2500  0.5832  1.0
  Se  Se3  2  0.1008  0.2500  0.8640  1.0
  Se  Se4  2  0.2252  0.7500  0.5148  1.0
  Se  Se5  2  0.4385  0.7500  0.1641  1.0
]