data_Na2CrTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   137.67
_cell_angle_beta   131.13
_cell_angle_gamma   66.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CrTe
_chemical_formula_sum   'Na2 Cr1 Te1'
_cell_volume   110.15
_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
  Na  Na1  1  0.0  0.5  0.92  1.0
  Na  Na2  1  0.0  0.0  0.69  1.0
  Cr  Cr0  1  0.0  0.0  0.19  1.0
  Te  Te3  1  0.0  0.5  0.36  1.0

data_Na2CrTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   5.0
_cell_length_c   6.04
_cell_angle_alpha   114.44
_cell_angle_beta   111.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CrTe
_chemical_formula_sum   'Na2 Cr1 Te1'
_cell_volume   110.15
_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
  Na  Na0  1  0.08  0.58  0.58  1.0
  Na  Na1  1  0.31  0.31  0.31  1.0
  Cr  Cr2  1  0.81  0.81  0.81  1.0
  Te  Te3  1  0.64  0.14  0.14  1.0

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