data_[Mn2Sb2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2929]
_cell_length_b [3.9283]
_cell_length_c [8.5982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnSbSe2]
_chemical_formula_sum '[Mn2 Sb2 Se4]'
_cell_volume [205.9765]
_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
[
  Mn  Mn0  2  0.2745  0.2500  0.5072  1.0
  Sb  Sb1  2  0.1531  0.2500  0.9707  1.0
  Se  Se2  2  0.0370  0.7500  0.3476  1.0
  Se  Se3  2  0.4728  0.7500  0.6766  1.0
]