data_[La4Tc1Te1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4918]
_cell_length_b [4.2580]
_cell_length_c [7.9942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4TcTeCl2]
_chemical_formula_sum '[La4 Tc1 Te1 Cl2]'
_cell_volume [243.2181]
_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
[
  La  La0  2  0.2257  0.0000  0.7908  1
  La  La1  2  0.2276  0.5000  0.2153  1
  Tc  Tc2  1  0.0000  0.0000  0.0000  1
  Te  Te3  1  0.0000  0.5000  0.5000  1
  Cl  Cl4  1  0.5000  0.0000  0.5000  1
  Cl  Cl5  1  0.5000  0.5000  0.0000  1
]