data_[Lu2Mn2Ag2Se6]
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
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5609]
_cell_length_b [3.8938]
_cell_length_c [9.2943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LuMnAgSe3]
_chemical_formula_sum '[Lu2 Mn2 Ag2 Se6]'
_cell_volume [267.8061]
_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  0.1899  0.2500  0.6666  1
  Mn  Mn1  2  0.2461  0.7500  0.2023  1
  Ag  Ag2  2  0.3938  0.7500  0.9180  1
  Se  Se3  2  0.0893  0.2500  0.3530  1
  Se  Se4  2  0.1878  0.2500  0.9863  1
  Se  Se5  2  0.4493  0.7500  0.6540  1
]