data_Co2CuTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   143.53
_cell_angle_beta   128.83
_cell_angle_gamma   64.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2CuTe
_chemical_formula_sum   'Co2 Cu1 Te1'
_cell_volume   54.89
_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
  Co  Co0  1  0.54  0.0  0.09  1.0
  Co  Co1  1  0.0  0.13  0.08  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.17  1.0

data_Co2CuTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.26
_cell_length_c   4.93
_cell_angle_alpha   115.58
_cell_angle_beta   108.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2CuTe
_chemical_formula_sum   'Co2 Cu1 Te1'
_cell_volume   54.89
_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
  Co  Co0  1  0.45  0.91  0.45  1.0
  Co  Co1  1  0.92  0.05  0.05  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.83  0.83  0.83  1.0

Co Co Cu Te
Co Co Cu Te 0 2 o o o 0 2 + o o 0 1 o o o 0 1 + o o 0 3 + o o 1 2 o o o 2 3 o o o 