data_CaRe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   143.27
_cell_angle_beta   125.8
_cell_angle_gamma   67.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRe2Te
_chemical_formula_sum   'Ca1 Re2 Te1'
_cell_volume   88.72
_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  0.08  1.0
  Re  Re1  1  0.8  0.0  0.57  1.0
  Re  Re2  1  0.0  0.0  0.17  1.0
  Te  Te3  1  0.8  0.0  0.43  1.0

data_CaRe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.2
_cell_length_c   5.7
_cell_angle_alpha   117.1
_cell_angle_beta   108.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRe2Te
_chemical_formula_sum   'Ca1 Re2 Te1'
_cell_volume   88.72
_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  0.08  0.08  1.0
  Re  Re1  1  0.0  0.17  0.17  1.0
  Re  Re2  1  0.0  0.57  0.77  1.0
  Te  Te3  1  0.0  0.43  0.64  1.0

Ca Re Re Te