data_[Pa1Co1Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9752]
_cell_length_b [4.0172]
_cell_length_c [7.3246]
_cell_angle_alpha [75.4683]
_cell_angle_beta [85.2930]
_cell_angle_gamma [85.7085]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PaCoTe2]
_chemical_formula_sum '[Pa1 Co1 Te2]'
_cell_volume [112.6659]
_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
[
  Pa  Pa0  1  0.3078  0.4757  0.0544  1
  Co  Co1  1  0.6829  0.1297  0.9424  1
  Te  Te2  1  0.2203  0.1140  0.7178  1
  Te  Te3  1  0.7890  0.8166  0.2854  1
]