data_[La2Mn2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [7.9402]
_cell_length_b [4.0159]
_cell_length_c [8.7993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaMnCuSe3]
_chemical_formula_sum '[La2 Mn2 Cu2 Se6]'
_cell_volume [272.8681]
_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
[
  La  La0  2  0.1925  0.2500  0.2458  1.0
  Mn  Mn1  2  0.3330  0.7500  0.8447  1.0
  Cu  Cu2  2  0.0804  0.2500  0.5826  1.0
  Se  Se3  2  0.1006  0.2500  0.8665  1.0
  Se  Se4  2  0.2453  0.7500  0.5237  1.0
  Se  Se5  2  0.4351  0.7500  0.1549  1.0
]