data_[Mn4Pt2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8975]
_cell_length_b [3.7780]
_cell_length_c [6.3632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2PtSe4]
_chemical_formula_sum '[Mn4 Pt2 Se8]'
_cell_volume [276.4164]
_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  4  0.2400  0.5000  0.7111  1.0
  Pt  Pt1  2  0.0000  0.0000  0.0000  1.0
  Se  Se2  4  0.1158  0.0000  0.4564  1.0
  Se  Se3  4  0.1413  0.5000  0.9849  1.0
]