data_[Mg2Be1Tc1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Be  1.5700  1.0500  0.5900
  Tc  1.9000  1.3500  0.7417
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.9368]
_cell_length_b [4.9368]
_cell_length_c [4.7331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Mg2BeTcO6]
_chemical_formula_sum '[Mg2 Be1 Tc1 O6]'
_cell_volume [115.3564]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.9672  1
  Be  Be1  1  0.0000  0.0000  0.5578  1
  Tc  Tc2  1  0.5000  0.5000  0.5804  1
  O  O3  4  0.2490  0.2490  0.7315  1
  O  O4  1  0.0000  0.0000  0.2367  1
  O  O5  1  0.5000  0.5000  0.2113  1
]