data_Na2CaTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CaTe
_chemical_formula_sum   'Na2 Ca1 Te1'
_cell_volume   125.03
_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  0.75  0.77  0.51  1.0
  Na  Na2  1  0.75  0.23  0.51  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.51  0.0  0.0  1.0

data_Na2CaTe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Na2CaTe
_chemical_formula_sum   'Na2 Ca1 Te1'
_cell_volume   125.04
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.75  0.23  0.51  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.51  0.0  0.0  1.0

Na Na Ca Te
Na Na Ca Te 0 1 o + o 0 1 o o o 0 2 + + + 0 2 + + o 0 3 o + + 0 3 o + o 1 2 + o + 1 2 + o o 1 3 o o + 1 3 o o o 2 3 - o o 2 3 o o o 
Na2CaTe crystallizes in the monoclinic Pm space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Ca(1), and two equivalent Te(1) atoms. There is one shorter (2.26 Å) and one longer (2.73 Å) Na(1)-Na(1) bond length. There is one shorter (2.96 Å) and one longer (3.07 Å) Na(1)-Ca(1) bond length. There is one shorter (2.96 Å) and one longer (3.07 Å) Na(1)-Te(1) bond length. Ca(1) is bonded in a linear geometry to four equivalent Na(1) and two equivalent Te(1) atoms. There is one shorter (2.46 Å) and one longer (2.53 Å) Ca(1)-Te(1) bond length. Te(1) is bonded in a 6-coordinate geometry to four equivalent Na(1) and two equivalent Ca(1) atoms.