data_[Y1Be1Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2152]
_cell_length_b [4.1056]
_cell_length_c [5.3390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YBeTc2]
_chemical_formula_sum '[Y1 Be1 Tc2]'
_cell_volume [68.5325]
_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
[
  Y  Y0  1  0.5053  0.0000  0.5530  1
  Be  Be1  1  0.1053  0.5000  0.7860  1
  Tc  Tc2  1  0.1282  0.0000  0.0297  1
  Tc  Tc3  1  0.7612  0.5000  0.1313  1
]