data_[Co2Bi2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4945]
_cell_length_b [3.8389]
_cell_length_c [6.4192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CoBiTe]
_chemical_formula_sum '[Co2 Bi2 Te2]'
_cell_volume [135.1805]
_cell_formula_units_Z [2]
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
[
  Co  Co0  1  0.0000  0.5000  0.0000  1.0
  Co  Co1  1  0.5000  0.0000  0.5000  1.0
  Bi  Bi2  2  0.2761  0.0000  0.8539  1.0
  Te  Te3  2  0.2290  0.5000  0.3556  1.0
]