data_[Ca3Ho1Mn4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3474]
_cell_length_b [7.5789]
_cell_length_c [5.4676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ca3HoMn4O12]
_chemical_formula_sum '[Ca3 Ho1 Mn4 O12]'
_cell_volume [221.5882]
_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
[
  Ca  Ca0  1  0.0100  0.0000  0.9526  1.0
  Ca  Ca1  1  0.4911  0.0000  0.4551  1.0
  Ca  Ca2  1  0.9911  0.5000  0.0492  1.0
  Ho  Ho3  1  0.5129  0.5000  0.5608  1.0
  Mn  Mn4  2  0.0020  0.2491  0.4991  1.0
  Mn  Mn5  2  0.4982  0.2489  0.0039  1.0
  O  O6  2  0.2012  0.2096  0.2037  1.0
  O  O7  2  0.3008  0.2156  0.7016  1.0
  O  O8  2  0.7004  0.2990  0.2979  1.0
  O  O9  2  0.7864  0.3003  0.7847  1.0
  O  O10  1  0.0942  0.5000  0.4797  1.0
  O  O11  1  0.4192  0.5000  0.9728  1.0
  O  O12  1  0.5822  0.0000  0.0234  1.0
  O  O13  1  0.9211  0.0000  0.5246  1.0
]