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 [P-1]
_cell_length_a [5.1337]
_cell_length_b [6.1209]
_cell_length_c [6.4177]
_cell_angle_alpha [86.6851]
_cell_angle_beta [67.4283]
_cell_angle_gamma [66.7819]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnSbSe2]
_chemical_formula_sum '[Mn2 Sb2 Se4]'
_cell_volume [170.0890]
_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  0.3020  0.3925  0.0045  1
  Sb  Sb1  2  0.3994  0.9769  0.7671  1
  Se  Se2  2  0.1565  0.6281  0.7393  1
  Se  Se3  2  0.1871  0.7127  0.2473  1
]