data_[La12Te8As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7852]
_cell_length_b [13.4668]
_cell_length_c [7.8864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Te2As]
_chemical_formula_sum '[La12 Te8 As4]'
_cell_volume [780.8946]
_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  8  0.2482  0.3256  0.7697  1
  La  La1  4  0.2262  0.5000  0.2268  1
  Te  Te2  4  0.0000  0.1612  0.5000  1
  Te  Te3  2  0.0000  0.0000  0.0000  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  As  As5  4  0.0000  0.3323  0.0000  1
]