data_[Y2Mn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1991]
_cell_length_b [9.0077]
_cell_length_c [18.5875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [91.4897]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [YMnSe3]
_chemical_formula_sum '[Y2 Mn2 Se6]'
_cell_volume [870.1949]
_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
[
  Y  Y0  1  0.2269  0.5277  0.4551  1
  Y  Y1  1  0.7407  0.9757  0.4580  1
  Mn  Mn2  1  0.2370  0.8549  0.5715  1
  Mn  Mn3  1  0.7289  0.6422  0.5696  1
  Se  Se4  1  0.2235  0.5785  0.6039  1
  Se  Se5  1  0.2374  0.8658  0.4365  1
  Se  Se6  1  0.4954  0.2544  0.4519  1
  Se  Se7  1  0.7295  0.6410  0.4343  1
  Se  Se8  1  0.7420  0.9169  0.6062  1
  Se  Se9  1  0.9650  0.2556  0.4132  1
]