data_[Er4Te2C1S1]
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
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8438]
_cell_length_b [3.9032]
_cell_length_c [7.2604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4Te2CS]
_chemical_formula_sum '[Er4 Te2 C1 S1]'
_cell_volume [184.3178]
_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
[
  Er  Er0  2  0.2604  0.0000  0.6962  1.0
  Er  Er1  2  0.2921  0.5000  0.3076  1.0
  Te  Te2  1  0.0000  0.0000  0.0000  1.0
  Te  Te3  1  0.5000  0.5000  0.0000  1.0
  C  C4  1  0.5000  0.0000  0.5000  1.0
  S  S5  1  0.0000  0.5000  0.5000  1.0
]