data_CrTeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   119.56
_cell_angle_beta   119.56
_cell_angle_gamma   90.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTeAs2
_chemical_formula_sum   'Cr1 Te1 As2'
_cell_volume   72.54
_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  Cr2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.35  0.0  0.64  1.0
  As  As0  1  0.0  0.0  0.28  1.0
  As  As1  1  0.0  0.35  0.64  1.0

data_CrTeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   90.76
_cell_angle_beta   119.56
_cell_angle_gamma   119.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTeAs2
_chemical_formula_sum   'Cr1 Te1 As2'
_cell_volume   72.54
_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  Cr0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.64  0.29  0.64  1.0
  As  As2  1  0.28  0.28  0.28  1.0
  As  As3  1  0.64  0.64  0.29  1.0

Cr Te As As