data_NaCa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   6.93
_cell_angle_alpha   140.88
_cell_angle_beta   140.88
_cell_angle_gamma   56.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa2Te
_chemical_formula_sum   'Na1 Ca2 Te1'
_cell_volume   131.21
_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  Na2  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.0  0.0  0.1  1.0
  Ca  Ca1  1  0.32  0.0  0.05  1.0
  Te  Te3  1  0.0  0.32  0.05  1.0

data_NaCa2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   6.93
_cell_angle_alpha   109.56
_cell_angle_beta   109.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa2Te
_chemical_formula_sum   'Na1 Ca2 Te1'
_cell_volume   131.21
_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  0.0  0.0  1.0
  Ca  Ca1  1  0.05  0.73  0.73  1.0
  Ca  Ca2  1  0.1  0.1  0.1  1.0
  Te  Te3  1  0.73  0.05  0.73  1.0

Na Ca Ca Te