data_La2CuTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   124.19
_cell_angle_beta   122.8
_cell_angle_gamma   84.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuTe
_chemical_formula_sum   'La2 Cu1 Te1'
_cell_volume   110.57
_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  La1  1  0.0  0.63  0.05  1.0
  La  La2  1  0.57  0.0  0.04  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.08  1.0

data_La2CuTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.15
_cell_length_b   5.26
_cell_length_c   5.5
_cell_angle_alpha   118.6
_cell_angle_beta   117.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuTe
_chemical_formula_sum   'La2 Cu1 Te1'
_cell_volume   110.57
_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  1  0.54  0.96  0.54  1.0
  La  La1  1  0.95  0.58  0.58  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.92  0.92  0.92  1.0

La La Cu Te
La La Cu Te 0 3 o + o 0 2 o + o 1 3 + o o 1 2 + o o 2 3 o o o 