data_[Ba1Ca1La2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0479]
_cell_length_b [4.6330]
_cell_length_c [8.1743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaCa(LaTe2)2]
_chemical_formula_sum '[Ba1 Ca1 La2 Te4]'
_cell_volume [288.0854]
_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
[
  Ba  Ba0  1  0.5000  0.5000  0.0000  1.0
  Ca  Ca1  1  0.0000  0.0000  0.0000  1.0
  La  La2  1  0.0000  0.5000  0.5000  1.0
  La  La3  1  0.5000  0.0000  0.5000  1.0
  Te  Te4  2  0.2350  0.0000  0.7390  1.0
  Te  Te5  2  0.2392  0.5000  0.2519  1.0
]