data_Cr2CoTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CoTe
_chemical_formula_sum   'Cr2 Co1 Te1'
_cell_volume   55.69
_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  0.9  0.94  1.0
  Cr  Cr2  1  0.9  0.0  0.94  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.9  0.9  0.0  1.0

data_Cr2CoTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2CoTe
_chemical_formula_sum   'Cr4 Co2 Te2'
_cell_volume   111.38
_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  4  0.45  0.45  0.94  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.4  0.5  0.0  1.0

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