data_La2CrTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   7.9
_cell_angle_alpha   102.63
_cell_angle_beta   102.63
_cell_angle_gamma   55.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CrTe
_chemical_formula_sum   'La2 Cr1 Te1'
_cell_volume   124.49
_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  0.5  0.0  0.86  1.0
  La  La2  1  0.44  0.0  0.8  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.97  0.0  0.83  1.0

data_La2CrTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.45
_cell_length_c   7.9
_cell_angle_alpha   102.63
_cell_angle_beta   90.0
_cell_angle_gamma   117.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CrTe
_chemical_formula_sum   'La2 Cr1 Te1'
_cell_volume   124.49
_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  0.0  0.5  0.14  1.0
  La  La1  1  0.0  0.56  0.2  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.03  0.17  1.0

La La Cr Te
La La Cr Te 0 1 o o o 2 3 - o - 