data_[Li2Mn2Cu2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pccm]
_cell_length_a [5.4159]
_cell_length_b [6.0636]
_cell_length_c [6.5153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [49]
_chemical_formula_structural [LiMnCuSe2]
_chemical_formula_sum '[Li2 Mn2 Cu2 Se4]'
_cell_volume [213.9598]
_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
[
  Li  Li0  2  0.0000  0.5000  0.2500  1.0
  Mn  Mn1  2  0.5000  0.0000  0.2500  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.2899  0.2723  0.5000  1.0
]