data_[Mg2Tc2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0987]
_cell_length_b [3.3938]
_cell_length_c [6.7192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgTcTe2]
_chemical_formula_sum '[Mg2 Tc2 Te4]'
_cell_volume [204.8835]
_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
[
  Mg  Mg0  2  0.4928  0.0000  0.4670  1
  Tc  Tc1  2  0.2451  0.5000  0.2880  1
  Te  Te2  2  0.0236  0.0000  0.1220  1
  Te  Te3  2  0.2385  0.0000  0.6230  1
]