data_[Na8Mn4Ga4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6134]
_cell_length_b [18.1313]
_cell_length_c [13.4158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2MnGaSe5]
_chemical_formula_sum '[Na8 Mn4 Ga4 Se20]'
_cell_volume [878.9354]
_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
[
  Na  Na0  4  0.0000  0.1004  0.6589  1.0
  Na  Na1  4  0.0000  0.1283  0.3063  1.0
  Mn  Mn2  4  0.0000  0.2229  0.0352  1.0
  Ga  Ga3  4  0.0000  0.4241  0.4307  1.0
  Se  Se4  4  0.0000  0.0747  0.0520  1.0
  Se  Se5  4  0.0000  0.2687  0.6605  1.0
  Se  Se6  4  0.0000  0.2897  0.4036  1.0
  Se  Se7  4  0.0000  0.3518  0.9942  1.0
  Se  Se8  4  0.0000  0.4938  0.2824  1.0
]