data_Ca2BeIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   6.8
_cell_angle_alpha   111.61
_cell_angle_beta   111.61
_cell_angle_gamma   36.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2BeIn
_chemical_formula_sum   'Ca2 Be1 In1'
_cell_volume   201.19
_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  Ca1  1  0.27  0.0  0.38  1.0
  Ca  Ca2  1  0.34  0.0  0.47  1.0
  Be  Be0  1  0.21  0.0  0.49  1.0
  In  In3  1  0.12  0.0  0.06  1.0

data_Ca2BeIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   6.8
_cell_length_c   7.34
_cell_angle_alpha   111.61
_cell_angle_beta   108.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2BeIn
_chemical_formula_sum   'Ca2 Be1 In1'
_cell_volume   201.19
_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  0.0  0.38  0.27  1.0
  Ca  Ca1  1  0.0  0.47  0.34  1.0
  Be  Be2  1  0.0  0.49  0.21  1.0
  In  In3  1  0.0  0.06  0.12  1.0

Ca Ca Be In