data_Na2CaTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.24
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   105.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CaTe
_chemical_formula_sum   'Na2 Ca1 Te1'
_cell_volume   139.19
_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  0.04  0.12  0.56  1.0
  Na  Na2  1  0.91  0.0  0.77  1.0
  Ca  Ca0  1  0.88  0.0  0.35  1.0
  Te  Te3  1  0.71  0.12  0.28  1.0

data_Na2CaTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.33
_cell_length_c   7.86
_cell_angle_alpha   105.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CaTe
_chemical_formula_sum   'Na2 Ca1 Te1'
_cell_volume   139.19
_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  0.0  0.09  0.23  1.0
  Na  Na1  1  0.88  0.96  0.44  1.0
  Ca  Ca2  1  0.0  0.12  0.65  1.0
  Te  Te3  1  0.88  0.29  0.72  1.0

Na Na Ca Te