data_Cu2TeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   3.95
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   101.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TeP
_chemical_formula_sum   'Cu2 Te1 P1'
_cell_volume   76.49
_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
  Cu  Cu0  1  0.26  0.0  0.63  1.0
  Cu  Cu1  1  0.71  0.98  0.31  1.0
  Te  Te3  1  0.86  0.98  0.35  1.0
  P  P2  1  0.65  0.0  0.53  1.0

data_Cu2TeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.95
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   101.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TeP
_chemical_formula_sum   'Cu2 Te1 P1'
_cell_volume   76.49
_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
  Cu  Cu0  1  0.26  0.0  0.63  1.0
  Cu  Cu1  1  0.71  0.98  0.31  1.0
  Te  Te2  1  0.86  0.98  0.35  1.0
  P  P3  1  0.65  0.0  0.53  1.0

Cu Cu Te P