data_Cr2TeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   7.2
_cell_angle_alpha   26.61
_cell_angle_beta   26.61
_cell_angle_gamma   26.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TeAs
_chemical_formula_sum   'Cr2 Te1 As1'
_cell_volume   66.11
_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
  Cr  Cr1  1  0.0  0.0  0.46  1.0
  Cr  Cr2  1  0.0  0.0  0.37  1.0
  Te  Te3  1  0.0  0.0  0.42  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Cr2TeAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   3.32
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   105.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2TeAs
_chemical_formula_sum   'Cr4 Te2 As2'
_cell_volume   132.22
_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
  Cr  Cr0  2  -0.0  0.0  0.54  1.0
  Cr  Cr1  2  -0.0  0.0  0.63  1.0
  Te  Te2  2  -0.0  0.0  0.58  1.0
  As  As3  2  -0.0  0.0  0.0  1.0

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