data_[La12Te6P2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6309]
_cell_length_b [13.2143]
_cell_length_c [7.8137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Te3PSe2]
_chemical_formula_sum '[La12 Te6 P2 Se4]'
_cell_volume [745.1058]
_cell_formula_units_Z [2]
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  8  0.2340  0.1611  0.2189  1
  La  La1  4  0.2480  0.0000  0.7788  1
  Te  Te2  4  0.0000  0.1699  0.5000  1
  Te  Te3  2  0.0000  0.5000  0.5000  1
  P  P4  2  0.0000  0.0000  0.0000  1
  Se  Se5  4  0.0000  0.3339  0.0000  1
]