data_[Er4Mn4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.1953]
_cell_length_b [5.1990]
_cell_length_c [7.4636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [ErMnC2]
_chemical_formula_sum '[Er4 Mn4 C8]'
_cell_volume [198.7174]
_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  0.4948  0.4361  0.5074  1.0
  Mn  Mn1  4  0.4456  0.0641  0.8064  1.0
  C  C2  4  0.0191  0.4240  0.5665  1.0
  C  C3  4  0.1740  0.3087  0.7228  1.0
]