data_CaTcP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   3.24
_cell_angle_alpha   96.96
_cell_angle_beta   96.96
_cell_angle_gamma   100.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcP2
_chemical_formula_sum   'Ca1 Tc1 P2'
_cell_volume   65.83
_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
  Tc  Tc3  1  0.93  0.0  0.0  1.0
  P  P1  1  0.16  0.24  0.59  1.0
  P  P2  1  0.16  0.76  0.59  1.0

data_CaTcP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   100.53
_cell_angle_beta   96.96
_cell_angle_gamma   96.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcP2
_chemical_formula_sum   'Ca1 Tc1 P2'
_cell_volume   65.83
_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
  Tc  Tc1  1  0.0  0.93  0.0  1.0
  P  P2  1  0.59  0.16  0.24  1.0
  P  P3  1  0.59  0.16  0.76  1.0

Ca Tc P P