data_global
_chemical_name_mineral 'Lindgrenite'
loop_
_publ_author_name
'Calvert L D'
'Barnes W H'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 6 
_journal_year 1957
_journal_page_first 31
_journal_page_last 51
_publ_section_title
;
 The structure of lindgrenite
;
_database_code_amcsd 0005073
_chemical_formula_sum 'Cu3 Mo2 O10 H2'
_cell_length_a 5.61
_cell_length_b 14.03
_cell_length_c 5.40
_cell_angle_alpha 90
_cell_angle_beta 98.38
_cell_angle_gamma 90
_cell_volume 420.487
_exptl_crystal_density_diffrn      4.301
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1   0.00000   0.00000   0.00000   0.00671
Cu2   0.48850   0.09420   0.86420   0.00671
Mo   0.87690   0.15440   0.45520   0.00671
O1   0.43200   0.22100   0.97700   0.01267
O2   0.09600   0.09400   0.64200   0.01267
O3   0.60000   0.13000   0.55400   0.01267
O4   0.86600   0.11200   0.14900   0.01267
O-H   0.34100   0.03100   0.12300   0.01267