data_Ca2CrTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.21
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   91.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CrTc
_chemical_formula_sum   'Ca2 Cr1 Tc1'
_cell_volume   92.56
_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  0.9  0.0  0.29  1.0
  Ca  Ca1  1  0.51  0.6  0.86  1.0
  Cr  Cr2  1  0.12  0.0  0.09  1.0
  Tc  Tc3  1  0.52  0.6  0.07  1.0

data_Ca2CrTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.23
_cell_length_c   8.92
_cell_angle_alpha   91.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CrTc
_chemical_formula_sum   'Ca2 Cr1 Tc1'
_cell_volume   92.56
_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  0.1  0.71  1.0
  Ca  Ca1  1  0.4  0.49  0.14  1.0
  Cr  Cr2  1  0.0  0.88  0.91  1.0
  Tc  Tc3  1  0.4  0.48  0.93  1.0

Ca Ca Cr Tc