data_[Y1Co1Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.1497]
_cell_length_b [4.6980]
_cell_length_c [4.6133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [YCoTc2]
_chemical_formula_sum '[Y1 Co1 Tc2]'
_cell_volume [67.2872]
_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  0.0000  0.5000  0.5000  1
  Co  Co1  1  0.5000  0.5000  0.0000  1
  Tc  Tc2  2  0.3313  0.0000  0.2283  1
]