data_[Lu2Mn2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  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 [P2_1/m]
_cell_length_a [7.4979]
_cell_length_b [3.7960]
_cell_length_c [9.1076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LuMnCuSe3]
_chemical_formula_sum '[Lu2 Mn2 Cu2 Se6]'
_cell_volume [254.7485]
_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
[
  Lu  Lu0  2  0.3231  0.7500  0.3263  1
  Mn  Mn1  2  0.1986  0.2500  0.7872  1
  Cu  Cu2  2  0.0835  0.2500  0.0781  1
  Se  Se3  2  0.0575  0.2500  0.3401  1
  Se  Se4  2  0.2703  0.7500  0.0120  1
  Se  Se5  2  0.3992  0.7500  0.6498  1
]