data_[Cu2Sb2Te2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.4786]
_cell_length_b [4.0235]
_cell_length_c [5.8052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuSbTeH]
_chemical_formula_sum '[Cu2 Sb2 Te2 H2]'
_cell_volume [168.5415]
_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
[
  Cu  Cu0  2  0.0870  0.0000  0.8489  1
  Sb  Sb1  2  0.3740  0.0000  0.6623  1
  Te  Te2  2  0.1852  0.5000  0.1474  1
  H  H3  2  0.0214  0.5000  0.3124  1
]