data_[Ca4Be2Cr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1854]
_cell_length_b [4.5337]
_cell_length_c [10.7876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ca2BeCr]
_chemical_formula_sum '[Ca4 Be2 Cr2]'
_cell_volume [204.7004]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.9816  1
  Ca  Ca1  2  0.5000  0.0000  0.2712  1
  Be  Be2  2  0.5000  0.0000  0.5732  1
  Cr  Cr3  2  0.0000  0.0000  0.6741  1
]