data_[Sm8Mg4Mn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0785]
_cell_length_b [17.3284]
_cell_length_c [12.0538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2MgMnSe5]
_chemical_formula_sum '[Sm8 Mg4 Mn4 Se20]'
_cell_volume [851.9007]
_cell_formula_units_Z [4]
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
[
  Sm  Sm0  4  0.0000  0.1133  0.6863  1.0
  Sm  Sm1  4  0.0000  0.1298  0.3031  1.0
  Mg  Mg2  4  0.0000  0.2050  0.0141  1.0
  Mn  Mn3  4  0.0000  0.4362  0.4573  1.0
  Se  Se4  4  0.0000  0.0481  0.0692  1.0
  Se  Se5  4  0.0000  0.2867  0.6663  1.0
  Se  Se6  4  0.0000  0.3089  0.3507  1.0
  Se  Se7  4  0.0000  0.3574  0.9998  1.0
  Se  Se8  4  0.0000  0.4981  0.7772  1.0
]