data_CrTe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   4.1
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   107.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTe2As
_chemical_formula_sum   'Cr1 Te2 As1'
_cell_volume   100.43
_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  0.0  1.0
  Te  Te2  1  0.06  0.05  0.71  1.0
  Te  Te3  1  0.44  0.05  0.19  1.0
  As  As0  1  0.75  0.0  0.45  1.0

data_CrTe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   5.01
_cell_length_c   5.13
_cell_angle_alpha   107.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTe2As
_chemical_formula_sum   'Cr1 Te2 As1'
_cell_volume   100.43
_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  0.95  0.56  0.81  1.0
  Te  Te2  1  0.95  0.94  0.29  1.0
  As  As3  1  0.0  0.25  0.55  1.0

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