data_[La4Mg4Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2740]
_cell_length_b [4.3749]
_cell_length_c [5.4762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaMgTc]
_chemical_formula_sum '[La4 Mg4 Tc4]'
_cell_volume [310.4345]
_cell_formula_units_Z [4]
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
[
  La  La0  4  0.1309  0.0000  0.3217  1
  Mg  Mg1  4  0.0786  0.5000  0.7907  1
  Tc  Tc2  4  0.2222  0.0000  0.9048  1
]