data_[Be2Tc1Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tc  1.9000  1.3500  0.7417
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.9236]
_cell_length_b [3.1507]
_cell_length_c [7.2286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Be2TcCl]
_chemical_formula_sum '[Be2 Tc1 Cl1]'
_cell_volume [66.5847]
_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
[
  Be  Be0  1  0.0000  0.5000  0.0145  1
  Be  Be1  1  0.5000  0.0000  0.1998  1
  Tc  Tc2  1  0.5000  0.0000  0.8940  1
  Cl  Cl3  1  0.0000  0.0000  0.3917  1
]