data_CaTe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   40.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTe2P
_chemical_formula_sum   'Ca1 Te2 P1'
_cell_volume   107.77
_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  0.17  0.0  0.25  1.0
  Te  Te2  1  0.0  0.0  0.16  1.0
  Te  Te3  1  0.17  0.0  0.86  1.0
  P  P1  1  0.0  0.0  0.65  1.0

data_CaTe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.33
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   110.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTe2P
_chemical_formula_sum   'Ca1 Te2 P1'
_cell_volume   107.77
_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  0.75  0.17  0.75  1.0
  Te  Te1  1  0.14  0.17  0.14  1.0
  Te  Te2  1  0.84  0.0  0.84  1.0
  P  P3  1  0.35  0.0  0.35  1.0

Ca Te Te P