data_[Er2Lu2Mo4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Lu  1.2700  1.7500  1.0010
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2669]
_cell_length_b [3.3525]
_cell_length_c [5.6339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ErLuMo2C3]
_chemical_formula_sum '[Er2 Lu2 Mo4 C6]'
_cell_volume [201.5796]
_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
[
  Er  Er0  2  0.3853  0.0000  0.6806  1
  Lu  Lu1  2  0.1156  0.5000  0.3179  1
  Mo  Mo2  2  0.1486  0.0000  0.8690  1
  Mo  Mo3  2  0.3516  0.5000  0.1313  1
  C  C4  2  0.0009  0.0000  0.0035  1
  C  C5  2  0.2297  0.5000  0.7525  1
  C  C6  2  0.2682  0.0000  0.2452  1
]