data_[Ho2Cu2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/m]
_cell_length_a [6.3928]
_cell_length_b [4.0323]
_cell_length_c [6.9598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HoCuSe2]
_chemical_formula_sum '[Ho2 Cu2 Se4]'
_cell_volume [179.3680]
_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
[
  Ho  Ho0  1  0.0000  0.0000  0.0000  1.0
  Ho  Ho1  1  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  2  0.3627  0.5000  0.8396  1.0
  Se  Se3  2  0.2525  0.5000  0.1737  1.0
  Se  Se4  2  0.2547  0.0000  0.6685  1.0
]