data_LaCr2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   6.22
_cell_angle_alpha   109.31
_cell_angle_beta   109.31
_cell_angle_gamma   57.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Te
_chemical_formula_sum   'La1 Cr2 Te1'
_cell_volume   84.93
_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  La2  1  0.53  0.0  0.05  1.0
  Cr  Cr0  1  0.97  0.0  0.42  1.0
  Cr  Cr1  1  0.11  0.0  0.16  1.0
  Te  Te3  1  0.9  0.0  0.78  1.0

data_LaCr2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.19
_cell_length_c   6.22
_cell_angle_alpha   109.31
_cell_angle_beta   90.0
_cell_angle_gamma   118.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Te
_chemical_formula_sum   'La1 Cr2 Te1'
_cell_volume   84.93
_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  0.47  0.95  1.0
  Cr  Cr1  1  0.0  0.03  0.58  1.0
  Cr  Cr2  1  0.0  0.89  0.84  1.0
  Te  Te3  1  0.0  0.1  0.22  1.0

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