data_[Sr2Mn1Tc1Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P-1]
_cell_length_a [6.6092]
_cell_length_b [6.7959]
_cell_length_c [6.9322]
_cell_angle_alpha [63.0125]
_cell_angle_beta [65.6958]
_cell_angle_gamma [65.4230]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2MnTcSe6]
_chemical_formula_sum '[Sr2 Mn1 Tc1 Se6]'
_cell_volume [242.5917]
_cell_formula_units_Z [1]
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
[
  Sr  Sr0  2  0.2554  0.7411  0.2559  1
  Mn  Mn1  1  0.0000  0.5000  0.0000  1
  Tc  Tc2  1  0.5000  0.0000  0.5000  1
  Se  Se3  2  0.1561  0.8320  0.7170  1
  Se  Se4  2  0.2505  0.3145  0.6837  1
  Se  Se5  2  0.3386  0.2698  0.1645  1
]