data_CaTe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   122.92
_cell_angle_beta   117.48
_cell_angle_gamma   89.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTe2Pb
_chemical_formula_sum   'Ca1 Te2 Pb1'
_cell_volume   125.29
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.92  0.03  1.0
  Te  Te3  1  0.69  0.0  0.96  1.0
  Pb  Pb1  1  0.0  0.0  0.99  1.0

data_CaTe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.38
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   62.52
_cell_angle_beta   61.46
_cell_angle_gamma   61.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTe2Pb
_chemical_formula_sum   'Ca1 Te2 Pb1'
_cell_volume   125.29
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.03  -0.0  0.89  1.0
  Te  Te2  1  0.27  0.69  0.04  1.0
  Pb  Pb3  1  0.99  -0.0  0.01  1.0

Ca Te Te Pb