data_[Mn2Tc2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tc  1.9000  1.3500  0.7417
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5822]
_cell_length_b [3.4045]
_cell_length_c [6.2979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnTcSe2]
_chemical_formula_sum '[Mn2 Tc2 Se4]'
_cell_volume [181.6732]
_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  0.2750  0.5000  0.3341  1
  Tc  Tc1  2  0.0003  0.5000  0.4225  1
  Se  Se2  2  0.2375  0.0000  0.6093  1
  Se  Se3  2  0.4873  0.5000  0.1341  1
]