data_[Er4Te4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0882]
_cell_length_b [5.9297]
_cell_length_c [7.3811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ErTeH]
_chemical_formula_sum '[Er4 Te4 H4]'
_cell_volume [245.0865]
_cell_formula_units_Z [4]
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
[
  Er  Er0  4  0.3564  0.1411  0.7781  1
  Te  Te1  4  0.2050  0.6213  0.8800  1
  H  H2  4  0.3600  0.0964  0.0699  1
]