data_CaTe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   7.24
_cell_angle_alpha   150.76
_cell_angle_beta   147.88
_cell_angle_gamma   43.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTe2Ru
_chemical_formula_sum   'Ca1 Te2 Ru1'
_cell_volume   98.26
_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  0.35  1.0
  Te  Te2  1  0.0  0.0  0.58  1.0
  Te  Te3  1  0.83  0.0  0.01  1.0
  Ru  Ru1  1  0.0  0.0  0.92  1.0

data_CaTe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.01
_cell_length_c   7.24
_cell_angle_alpha   106.06
_cell_angle_beta   104.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTe2Ru
_chemical_formula_sum   'Ca1 Te2 Ru1'
_cell_volume   98.26
_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  0.35  0.35  1.0
  Te  Te1  1  0.0  0.01  0.18  1.0
  Te  Te2  1  0.0  0.58  0.58  1.0
  Ru  Ru3  1  1.0  0.92  0.92  1.0

Ca Te Te Ru