data_[Er4Te2P1C1]
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
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8882]
_cell_length_b [3.9403]
_cell_length_c [7.2924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4Te2PC]
_chemical_formula_sum '[Er4 Te2 P1 C1]'
_cell_volume [188.1032]
_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  0.2572  0.5000  0.1994  1.0
  Er  Er1  2  0.2868  0.0000  0.8056  1.0
  Te  Te2  1  0.0000  0.5000  0.5000  1.0
  Te  Te3  1  0.5000  0.0000  0.5000  1.0
  P  P4  1  0.0000  0.0000  0.0000  1.0
  C  C5  1  0.5000  0.5000  0.0000  1.0
]