data_La2CuTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuTe
_chemical_formula_sum   'La2 Cu1 Te1'
_cell_volume   124.58
_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  0.19  0.19  0.75  1.0
  La  La2  1  0.0  0.0  0.35  1.0
  Cu  Cu0  1  0.0  0.0  0.64  1.0
  Te  Te3  1  0.19  0.19  0.51  1.0

data_La2CuTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2CuTe
_chemical_formula_sum   'La4 Cu2 Te2'
_cell_volume   249.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.35  1.0
  La  La1  2  0.19  0.0  0.75  1.0
  Cu  Cu2  2  0.0  0.0  0.64  1.0
  Te  Te3  2  0.19  0.0  0.51  1.0

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